7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide

C21H17ClN2O3 — CID 162763873

IUPAC7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(Cl)c(-c2cccc3cc(C(=O)N[C@@H]4CC[C@H](O)C4)oc23)c1
InChIInChI=1S/C21H17ClN2O3/c22-18-7-4-12(11-23)8-17(18)16-3-1-2-13-9-19(27-20(13)16)21(26)24-14-5-6-15(25)10-14/h1-4,7-9,14-15,25H,5-6,10H2,(H,24,26)/t14-,15+/m1/s1
InChIKeyULGBDVGBFRPXRT-CABCVRRESA-N
MW380.83 g/mol
LogP4.27
Rot. Bonds3

About 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide

7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (PubChem CID 162763873) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
PubChem CID162763873
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(Cl)c(-c2cccc3cc(C(=O)N[C@@H]4CC[C@H](O)C4)oc23)c1
InChIInChI=1S/C21H17ClN2O3/c22-18-7-4-12(11-23)8-17(18)16-3-1-2-13-9-19(27-20(13)16)21(26)24-14-5-6-15(25)10-14/h1-4,7-9,14-15,25H,5-6,10H2,(H,24,26)/t14-,15+/m1/s1
InChIKeyULGBDVGBFRPXRT-CABCVRRESA-N
XLogP4.27
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-7-(5-cyano-2-propan-2-yloxyphenyl)-N-(3-hydroxycyclobutyl)-1-benzofuran-2-carboxamide
CID 162763888
7-(2-chloro-5-cyanophenyl)-N-[(1S,3R)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
CID 168284425
N-(2-chlorobenzyl)-1-benzofuran-2-carboxamide
CID 753536
Cis-7-(5-cyano-2-isopropoxy-phenyl)-5-fluoro-N-(3-hydroxycyclobutyl) benzofuran-2-carboxamide
CID 162763867
Cis-7-(5-chloro-2-methoxy-phenyl)-5-fluoro-N-[3-(hydroxymethyl)cyclobutyl]be nzofuran-2-carboxamide
CID 162763869
N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide
CID 768436
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 2557248
N-[2-(4-chlorophenyl)-2-(morpholin-4-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 16015176
N-[2-(4-chlorophenyl)-2-(morpholin-4-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16015181
5-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 24978934
5-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 24979506
7-chloro-N-(trans-4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 23723269

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide (CID 162763873) is 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is N#Cc1ccc(Cl)c(-c2cccc3cc(C(=O)N[C@@H]4CC[C@H](O)C4)oc23)c1.
What is the InChIKey of 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
The InChIKey is ULGBDVGBFRPXRT-CABCVRRESA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-18-7-4-12(11-23)8-17(18)16-3-1-2-13-9-19(27-20(13)16)21(26)24-14-5-6-15(25)10-14/h1-4,7-9,14-15,25H,5-6,10H2,(H,24,26)/t14-,15+/m1/s1.
What are the key properties of 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide?
7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-cyanophenyl)-N-[(1R,3S)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).