1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide

C13H17ClN2O — CID 65045384

IUPAC1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1(Nc1ccccc1Cl)C(N)=O
InChIInChI=1S/C13H17ClN2O/c1-9-5-4-8-13(9,12(15)17)16-11-7-3-2-6-10(11)14/h2-3,6-7,9,16H,4-5,8H2,1H3,(H2,15,17)
InChIKeyQNXAKBGKQVWCHU-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.80
Rot. Bonds3

About 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide

1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide (PubChem CID 65045384) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide
PubChem CID65045384
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1(Nc1ccccc1Cl)C(N)=O
InChIInChI=1S/C13H17ClN2O/c1-9-5-4-8-13(9,12(15)17)16-11-7-3-2-6-10(11)14/h2-3,6-7,9,16H,4-5,8H2,1H3,(H2,15,17)
InChIKeyQNXAKBGKQVWCHU-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-(2-chloroanilino)-2,5-dimethylcyclohexane-1-carboxylate
CID 64754954
1-(benzylamino)-2-methylcyclopentane-1-carboxamide
CID 65045227
1-(2-chloroanilino)cyclooctane-1-carboxamide
CID 54892443
1-(2-chloroanilino)cycloheptane-1-carboxamide
CID 54892250
2-tert-butyl-1-(2-chloroanilino)cyclohexane-1-carboxylic acid
CID 60991105
1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
CID 54891719
methyl 3-(2-chloroanilino)-2-methylthiane-3-carboxylate
CID 79951848
ethyl 1-(2-chloroanilino)-2-methoxycyclohexane-1-carboxylate
CID 106872999
[1-(2-chloroanilino)-2-methylcyclohexyl]methanol
CID 61048334
ethyl 1-(2-chloroanilino)-2,4,4-trimethylcyclopentane-1-carboxylate
CID 106663329
1-(2-chloroanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64745463
ethyl 1-(2-chloroanilino)-3-methoxycyclohexane-1-carboxylate
CID 106872998

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide (CID 65045384) is 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide is CC1CCCC1(Nc1ccccc1Cl)C(N)=O.
What is the InChIKey of 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide?
The InChIKey is QNXAKBGKQVWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-5-4-8-13(9,12(15)17)16-11-7-3-2-6-10(11)14/h2-3,6-7,9,16H,4-5,8H2,1H3,(H2,15,17).
What are the key properties of 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide?
1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 65045384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).