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

C19H21ClN2O2 — CID 119420235

IUPACN-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1N
InChIInChI=1S/C19H21ClN2O2/c1-24-17-8-7-15(12-16(17)21)22-18(23)19(9-2-3-10-19)13-5-4-6-14(20)11-13/h4-8,11-12H,2-3,9-10,21H2,1H3,(H,22,23)
InChIKeyQYKNFKFWVXXGHT-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.38
Rot. Bonds4

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

N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide (PubChem CID 119420235) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
PubChem CID119420235
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1N
InChIInChI=1S/C19H21ClN2O2/c1-24-17-8-7-15(12-16(17)21)22-18(23)19(9-2-3-10-19)13-5-4-6-14(20)11-13/h4-8,11-12H,2-3,9-10,21H2,1H3,(H,22,23)
InChIKeyQYKNFKFWVXXGHT-UHFFFAOYSA-N
XLogP4.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 55783455
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119420007
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide
CID 134047590
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide (CID 119420235) is N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is QYKNFKFWVXXGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-17-8-7-15(12-16(17)21)22-18(23)19(9-2-3-10-19)13-5-4-6-14(20)11-13/h4-8,11-12H,2-3,9-10,21H2,1H3,(H,22,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119420235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).