3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide

C13H17ClN2O — CID 66032471

IUPAC3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C13H17ClN2O/c1-8-2-4-10(14)7-12(8)16-13(17)9-3-5-11(15)6-9/h2,4,7,9,11H,3,5-6,15H2,1H3,(H,16,17)
InChIKeyXTRFGFWBFHJKIC-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.71
Rot. Bonds2

About 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide

3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 66032471) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
PubChem CID66032471
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C13H17ClN2O/c1-8-2-4-10(14)7-12(8)16-13(17)9-3-5-11(15)6-9/h2,4,7,9,11H,3,5-6,15H2,1H3,(H,16,17)
InChIKeyXTRFGFWBFHJKIC-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082
3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 66008738
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683795
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide (CID 66032471) is 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is XTRFGFWBFHJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8-2-4-10(14)7-12(8)16-13(17)9-3-5-11(15)6-9/h2,4,7,9,11H,3,5-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide?
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66032471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).