2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide

C14H19ClN2O — CID 82763741

IUPAC2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCCC2N)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-9-5-6-10(8-11(9)15)17-13(18)14(2)7-3-4-12(14)16/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyCBDYCFVQOIYSCG-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.10
Rot. Bonds2

About 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82763741) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82763741
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCCC2N)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-9-5-6-10(8-11(9)15)17-13(18)14(2)7-3-4-12(14)16/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyCBDYCFVQOIYSCG-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-methyl-N-(4-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 82759601
methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
CID 82764559
(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone
CID 107561390
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
2-amino-1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide
CID 82766050
2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765908
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
CID 82768134
2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82768378
2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764963
2-amino-1-methyl-N-[4-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 82763880
2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
CID 82765923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide (CID 82763741) is 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2(C)CCCC2N)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is CBDYCFVQOIYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-5-6-10(8-11(9)15)17-13(18)14(2)7-3-4-12(14)16/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82763741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).