3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide

C21H22N2O2 — CID 119697972

IUPAC3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC(c2ccccc2)c2cc3ccccc3o2)C1
InChIInChI=1S/C21H22N2O2/c22-17-11-10-16(12-17)21(24)23-20(14-6-2-1-3-7-14)19-13-15-8-4-5-9-18(15)25-19/h1-9,13,16-17,20H,10-12,22H2,(H,23,24)
InChIKeyXCGSWOTXDWCXAY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.77
Rot. Bonds4

About 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 119697972) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide
PubChem CID119697972
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NC(c2ccccc2)c2cc3ccccc3o2)C1
InChIInChI=1S/C21H22N2O2/c22-17-11-10-16(12-17)21(24)23-20(14-6-2-1-3-7-14)19-13-15-8-4-5-9-18(15)25-19/h1-9,13,16-17,20H,10-12,22H2,(H,23,24)
InChIKeyXCGSWOTXDWCXAY-UHFFFAOYSA-N
XLogP3.77
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-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

N-[(R)-1-benzofuran-2-yl(phenyl)methyl]cyclobutanecarboxamide
CID 40789963
N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119275756
(2S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95905263
N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119697982
3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 119738121
(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 97023553
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide
CID 66007495
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide (CID 119697972) is 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NC(c2ccccc2)c2cc3ccccc3o2)C1.
What is the InChIKey of 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is XCGSWOTXDWCXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c22-17-11-10-16(12-17)21(24)23-20(14-6-2-1-3-7-14)19-13-15-8-4-5-9-18(15)25-19/h1-9,13,16-17,20H,10-12,22H2,(H,23,24).
What are the key properties of 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119697972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).