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PD 184352 (212631-79-3)

Identification
Name:PD 184352
Synonyms:2-(2-Chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CAS:212631-79-3
Molecular Formula: C17H14ClF2IN2O2
Molecular Weight: 478.66
InChI: InChI=1/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
Molecular Structure: (C17H14ClF2IN2O2) 2-(2-Chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
Properties
Density:1.747g/cm3
Refractive index:1.656
Appearance:Off-white to pale beige solid
Specification:

The cas register number of PD 184352 is 212631-79-3. It also can be called as Benzamide, 2-((2-chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluoro- and the Systematic name about this chemical is 2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide. It is used as an inhibitor of ERK signaling pathway and a MAP kinase inhibitor.

Physical properties about PD 184352 are: (1)ACD/LogP: 8.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.01; (4)ACD/LogD (pH 7.4): 8.01; (5)ACD/BCF (pH 5.5): 719482.75; (6)ACD/BCF (pH 7.4): 719482.75; (7)ACD/KOC (pH 5.5): 542032.06; (8)ACD/KOC (pH 7.4): 542032.06; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.78Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 100.63 cm3; (15)Molar Volume: 273.8 cm3; (16)Surface Tension: 56.7 dyne/cm; (17)Density: 1.747 g/cm3.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(c1ccc(F)c(F)c1Nc2ccc(I)cc2Cl)NOCC3CC3
2.InChI: InChI=1/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
3.InChIKey: GFMMXOIFOQCCGU-UHFFFAOYAC
4.Std. InChI: InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)

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