English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

WUU

Summary

Name:	N-[(2,4-dichlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Formula:	C18 H14 Cl2 N2 O3
Formal charge:	0
Formula weight:	377.221 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(2,4-dichlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
OpenEye OEToolkits	2.0.7	4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-[(2,4-dichlorophenyl)methyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CCC2=O)c(Cl)c1
InChI	InChI	1.06	InChI=1S/C18H14Cl2N2O3/c19-13-4-1-12(15(20)9-13)10-21-18(25)11-2-5-14(6-3-11)22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25)
InChIKey	InChI	1.06	YIKFWSGXLMFIFN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(CNC(=O)c2ccc(cc2)N3C(=O)CCC3=O)c(Cl)c1
SMILES	CACTVS	3.385	Clc1ccc(CNC(=O)c2ccc(cc2)N3C(=O)CCC3=O)c(Cl)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)NCc2ccc(cc2Cl)Cl)N3C(=O)CCC3=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)NCc2ccc(cc2Cl)Cl)N3C(=O)CCC3=O

222624

PDB entries from 2024-07-17

PDB statistics

PDBj update info

Contact PDBj

numon