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

C13H17ClN2O2 — CID 66030670

IUPAC3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-18-12-5-4-10(7-11(12)14)16-13(17)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyPQAOCUCWNCGVAO-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.41
Rot. Bonds3

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

3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 66030670) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID66030670
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-18-12-5-4-10(7-11(12)14)16-13(17)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyPQAOCUCWNCGVAO-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
CID 119739551
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 18283208
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide (CID 66030670) is 3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2CCC(N)C2)cc1Cl.
What is the InChIKey of 3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is PQAOCUCWNCGVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-12-5-4-10(7-11(12)14)16-13(17)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide?
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66030670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).