2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide

C13H17ClN2O — CID 64823496

IUPAC2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-10-6-4-9(5-7-10)8-16-13(17)11-2-1-3-12(11)15/h4-7,11-12H,1-3,8,15H2,(H,16,17)
InChIKeyFSVJKHSPQAILGV-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.08
Rot. Bonds3

About 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide

2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 64823496) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID64823496
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-10-6-4-9(5-7-10)8-16-13(17)11-2-1-3-12(11)15/h4-7,11-12H,1-3,8,15H2,(H,16,17)
InChIKeyFSVJKHSPQAILGV-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
CID 64822288
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 64822466
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473
2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823086
trans-(1S,2S)-2-[[4-(4-chlorophenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42339176
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
2-amino-N-(naphthalen-1-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119709547
trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124700252
trans-(1S,2S)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124698857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide (CID 64823496) is 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide is NC1CCCC1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is FSVJKHSPQAILGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-10-6-4-9(5-7-10)8-16-13(17)11-2-1-3-12(11)15/h4-7,11-12H,1-3,8,15H2,(H,16,17).
What are the key properties of 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide?
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64823496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).