1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide

C18H19ClN2O — CID 60542537

IUPAC1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccncc1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C18H19ClN2O/c19-15-6-4-5-14(13-15)18(9-2-1-3-10-18)17(22)21-16-7-11-20-12-8-16/h4-8,11-13H,1-3,9-10H2,(H,20,21,22)
InChIKeyXOGQRSPEKTVOCZ-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.58
Rot. Bonds3

About 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide

1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 60542537) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID60542537
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccncc1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C18H19ClN2O/c19-15-6-4-5-14(13-15)18(9-2-1-3-10-18)17(22)21-16-7-11-20-12-8-16/h4-8,11-13H,1-3,9-10H2,(H,20,21,22)
InChIKeyXOGQRSPEKTVOCZ-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726
1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 78844552
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide
CID 166355507
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
CID 134047957
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
CID 55984772
1-(3-chlorophenyl)-N-(6-imidazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 39406638
1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide
CID 75455610
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 60542537) is 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide is O=C(Nc1ccncc1)C1(c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is XOGQRSPEKTVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-15-6-4-5-14(13-15)18(9-2-1-3-10-18)17(22)21-16-7-11-20-12-8-16/h4-8,11-13H,1-3,9-10H2,(H,20,21,22).
What are the key properties of 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 314.82 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 60542537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).