1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide

C16H23ClN2O — CID 81490077

IUPAC1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C16H23ClN2O/c1-12(10-13-4-6-14(17)7-5-13)19-15(20)16(11-18)8-2-3-9-16/h4-7,12H,2-3,8-11,18H2,1H3,(H,19,20)
InChIKeyLHDJDJVKRGULRA-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.91
Rot. Bonds5

About 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide (PubChem CID 81490077) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide
PubChem CID81490077
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C16H23ClN2O/c1-12(10-13-4-6-14(17)7-5-13)19-15(20)16(11-18)8-2-3-9-16/h4-7,12H,2-3,8-11,18H2,1H3,(H,19,20)
InChIKeyLHDJDJVKRGULRA-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81486715
1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide
CID 115434829
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 113311585
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 107860983

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide (CID 81490077) is 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide is CC(Cc1ccc(Cl)cc1)NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is LHDJDJVKRGULRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(10-13-4-6-14(17)7-5-13)19-15(20)16(11-18)8-2-3-9-16/h4-7,12H,2-3,8-11,18H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81490077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).