5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C21H21ClN2O2 — CID 9143695

IUPAC5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C21H21ClN2O2/c22-18-7-8-19-17(11-18)12-20(26-19)21(25)23-13-15-5-1-2-6-16(15)14-24-9-3-4-10-24/h1-2,5-8,11-12H,3-4,9-10,13-14H2,(H,23,25)
InChIKeyALMNIKUHFTZILV-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.61
Rot. Bonds5

About 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 9143695) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID9143695
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C21H21ClN2O2/c22-18-7-8-19-17(11-18)12-20(26-19)21(25)23-13-15-5-1-2-6-16(15)14-24-9-3-4-10-24/h1-2,5-8,11-12H,3-4,9-10,13-14H2,(H,23,25)
InChIKeyALMNIKUHFTZILV-UHFFFAOYSA-N
XLogP4.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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

CL82198
CID 2777
Befuraline hydrochloride
CID 73346
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-7-[2-(2-fluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 162763855
5-chloro-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635378
Benzofuran-2-yl(pyrrolidin-1-yl)methanone
CID 977385
5-chloro-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
CID 46238093
5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 944598
N-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1244301
N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 2469681
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 2526943
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 2603934

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 9143695) is 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccccc1CN1CCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ALMNIKUHFTZILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-18-7-8-19-17(11-18)12-20(26-19)21(25)23-13-15-5-1-2-6-16(15)14-24-9-3-4-10-24/h1-2,5-8,11-12H,3-4,9-10,13-14H2,(H,23,25).
What are the key properties of 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9143695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).