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Summary Geometry Related PDB entries

A1AR9

Summary

Name:	N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide
Formula:	C19 H13 Cl2 F N2 O
Formal charge:	0
Formula weight:	375.224 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide
OpenEye OEToolkits	2.0.7	~{N}-(5-chloranylpyridin-3-yl)-~{N}-[3-(3-chlorophenyl)phenyl]-2-fluoranyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc(cnc1)N(C(=O)CF)c1cc(ccc1)c1cccc(Cl)c1
InChI	InChI	1.06	InChI=1S/C19H13Cl2FN2O/c20-15-5-1-3-13(7-15)14-4-2-6-17(8-14)24(19(25)10-22)18-9-16(21)11-23-12-18/h1-9,11-12H,10H2
InChIKey	InChI	1.06	SDDYMGGGFFSDQI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	FCC(=O)N(c1cccc(c1)c2cccc(Cl)c2)c3cncc(Cl)c3
SMILES	CACTVS	3.385	FCC(=O)N(c1cccc(c1)c2cccc(Cl)c2)c3cncc(Cl)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)N(c2cc(cnc2)Cl)C(=O)CF)c3cccc(c3)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)N(c2cc(cnc2)Cl)C(=O)CF)c3cccc(c3)Cl

239492

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