1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide

C13H17ClN2O — CID 60867567

IUPAC1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-4-5-10(8-11(9)14)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyYGDWELWPJXTOFK-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.86
Rot. Bonds2

About 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide

1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 60867567) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
PubChem CID60867567
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-4-5-10(8-11(9)14)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyYGDWELWPJXTOFK-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
CID 119329511
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
1-amino-N-[3-chloro-4-(dimethylamino)phenyl]cyclobutane-1-carboxamide
CID 81171852
1-amino-N-(3-chloro-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60852453
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
CID 43348137
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574361
5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119337791
1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285029

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide (CID 60867567) is 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2(N)CCCC2)cc1Cl.
What is the InChIKey of 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is YGDWELWPJXTOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-5-10(8-11(9)14)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide?
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60867567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).