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Summary Geometry Related PDB entries

4P3

Summary

Name:	6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide
Formula:	C23 H16 Cl2 F4 N2 O3
Formal charge:	0
Formula weight:	515.284 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide
OpenEye OEToolkits	1.9.2	N-[4-(5-aminocarbonyl-2-chloranyl-phenyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-2-chloranyl-6-fluoranyl-N-methyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1ccc(Cl)c(c1)c2ccc(c(c2)OCC(F)(F)F)N(C(c3c(cccc3F)Cl)=O)C)N
InChI	InChI	1.03	InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)
InChIKey	InChI	1.03	NVMQCZDBIJGVBJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C(=O)c1c(F)cccc1Cl)c2ccc(cc2OCC(F)(F)F)c3cc(ccc3Cl)C(N)=O
SMILES	CACTVS	3.385	CN(C(=O)c1c(F)cccc1Cl)c2ccc(cc2OCC(F)(F)F)c3cc(ccc3Cl)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F
SMILES	OpenEye OEToolkits	1.9.2	CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F

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