1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide

C20H23ClN2O — CID 78844552

IUPAC1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(c2cccc(Cl)c2)CCCCC1)c1ccncc1
InChIInChI=1S/C20H23ClN2O/c1-15(16-8-12-22-13-9-16)23-19(24)20(10-3-2-4-11-20)17-6-5-7-18(21)14-17/h5-9,12-15H,2-4,10-11H2,1H3,(H,23,24)
InChIKeyDZNDEQJMQBAYJQ-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.81
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide

1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 78844552) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID78844552
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(c2cccc(Cl)c2)CCCCC1)c1ccncc1
InChIInChI=1S/C20H23ClN2O/c1-15(16-8-12-22-13-9-16)23-19(24)20(10-3-2-4-11-20)17-6-5-7-18(21)14-17/h5-9,12-15H,2-4,10-11H2,1H3,(H,23,24)
InChIKeyDZNDEQJMQBAYJQ-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(3-chlorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 95049720
1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 48664321
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 47798035
1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 86951201
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
CID 95231374
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 56812614
1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide
CID 166355507

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide (CID 78844552) is 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide is CC(NC(=O)C1(c2cccc(Cl)c2)CCCCC1)c1ccncc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is DZNDEQJMQBAYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15(16-8-12-22-13-9-16)23-19(24)20(10-3-2-4-11-20)17-6-5-7-18(21)14-17/h5-9,12-15H,2-4,10-11H2,1H3,(H,23,24).
What are the key properties of 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 78844552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).