Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

87S

Summary
Name:5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
Formula:C18 H15 Cl N2 O2
Formal charge:0
Formula weight:326.777 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
OpenEye OEToolkits2.0.65-[2-(4-chloranylphenoxy)phenyl]-2-methyl-1~{H}-pyrrole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c(c(c1cc(C(N)=O)c(n1)C)ccc2)Oc3ccc(cc3)Cl
InChIInChI1.03InChI=1S/C18H15ClN2O2/c1-11-15(18(20)22)10-16(21-11)14-4-2-3-5-17(14)23-13-8-6-12(19)7-9-13/h2-10,21H,1H3,(H2,20,22)
InChIKeyInChI1.03VYHWNVJEEBHTKR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1[nH]c(cc1C(N)=O)c2ccccc2Oc3ccc(Cl)cc3
SMILESCACTVS3.385Cc1[nH]c(cc1C(N)=O)c2ccccc2Oc3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N
SMILESOpenEye OEToolkits2.0.6Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N

219869

PDB entries from 2024-05-15

PDB statisticsPDBj update infoContact PDBjnumon