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Summary Geometry Related PDB entries

O2R

Summary

Name:	2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C18 H21 Cl N2 O2
Formal charge:	0
Formula weight:	332.825 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
OpenEye OEToolkits	2.0.7	2-(2-butoxy-5-chloranyl-phenyl)-~{N}-(4-methylpyridin-3-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)Cc1cc(Cl)ccc1OCCCC
InChI	InChI	1.06	InChI=1S/C18H21ClN2O2/c1-3-4-9-23-17-6-5-15(19)10-14(17)11-18(22)21-16-12-20-8-7-13(16)2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22)
InChIKey	InChI	1.06	BNLQGZVZNCOJKF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCOc1ccc(Cl)cc1CC(=O)Nc2cnccc2C
SMILES	CACTVS	3.385	CCCCOc1ccc(Cl)cc1CC(=O)Nc2cnccc2C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCCCOc1ccc(cc1CC(=O)Nc2cnccc2C)Cl
SMILES	OpenEye OEToolkits	2.0.7	CCCCOc1ccc(cc1CC(=O)Nc2cnccc2C)Cl

222926

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