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

LSG

Summary

Name:	5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide
Formula:	C16 H17 F I N3 O4
Formal charge:	0
Formula weight:	461.227 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide
OpenEye OEToolkits	1.7.0	5-ethanoyl-2-[(2-fluoro-4-iodo-phenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-pyrrole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Ic1ccc(c(F)c1)Nc2c(cc(C(=O)C)n2C)C(=O)NOCCO
SMILES_CANONICAL	CACTVS	3.370	Cn1c(Nc2ccc(I)cc2F)c(cc1C(C)=O)C(=O)NOCCO
SMILES	CACTVS	3.370	Cn1c(Nc2ccc(I)cc2F)c(cc1C(C)=O)C(=O)NOCCO
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)NOCCO
SMILES	OpenEye OEToolkits	1.7.0	CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)NOCCO
InChI	InChI	1.03	InChI=1S/C16H17FIN3O4/c1-9(23)14-8-11(16(24)20-25-6-5-22)15(21(14)2)19-13-4-3-10(18)7-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,24)
InChIKey	InChI	1.03	WRHOGNMBUWCIAC-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

PDB statistics

PDBj update info

Contact PDBj

numon