3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C13H18Cl2N2O — CID 119673508

IUPAC3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O.ClH/c14-12-4-2-1-3-10(12)8-16-13(17)9-5-6-11(15)7-9;/h1-4,9,11H,5-8,15H2,(H,16,17);1H
InChIKeyKHABSNKAVDKRCT-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.51
Rot. Bonds3

About 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119673508) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119673508
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O.ClH/c14-12-4-2-1-3-10(12)8-16-13(17)9-5-6-11(15)7-9;/h1-4,9,11H,5-8,15H2,(H,16,17);1H
InChIKeyKHABSNKAVDKRCT-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705493
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 66010662
trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124699225
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 66010679
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736254
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119796168
3-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119901656
4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 123698157

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119673508) is 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KHABSNKAVDKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c14-12-4-2-1-3-10(12)8-16-13(17)9-5-6-11(15)7-9;/h1-4,9,11H,5-8,15H2,(H,16,17);1H.
What are the key properties of 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119673508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).