N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide

C15H17ClN2O2 — CID 61458949

IUPACN-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-20-13-6-5-11(9-12(13)16)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyHFHJEZPCXOBMPP-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.76
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide (PubChem CID 61458949) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
PubChem CID61458949
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-20-13-6-5-11(9-12(13)16)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyHFHJEZPCXOBMPP-UHFFFAOYSA-N
XLogP3.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-cyanocyclohexane-1-carboxamide
CID 60584141
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
1-(3-chloro-4-methoxyanilino)cyclopentane-1-carboxylic acid
CID 71564864
N-(3-chloro-4-methoxyphenyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919300
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396507
2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 104677385
1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 29240891
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide (CID 61458949) is N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide?
The InChIKey is HFHJEZPCXOBMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-13-6-5-11(9-12(13)16)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide is sourced from PubChem (CID 61458949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).