1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide

C15H17FN2O — CID 62812690

IUPAC1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C#N)CCCCC2)ccc1F
InChIInChI=1S/C15H17FN2O/c1-11-9-12(5-6-13(11)16)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyVZOJRVCAHCFBPA-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.55
Rot. Bonds2

About 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide

1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 62812690) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID62812690
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C#N)CCCCC2)ccc1F
InChIInChI=1S/C15H17FN2O/c1-11-9-12(5-6-13(11)16)18-14(19)15(10-17)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyVZOJRVCAHCFBPA-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 104778651
1-cyano-N-(4-fluoro-3-nitrophenyl)cyclohexane-1-carboxamide
CID 60584373
1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 31836255
1-cyano-N-(4-methyl-3-nitrophenyl)cyclohexane-1-carboxamide
CID 60584340
2-[4-[(1-cyanocyclopentanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109738
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide
CID 61458989
1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62813931
N-(3-bromo-5-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 107583609
1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
CID 78995000
N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
CID 31812989

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide (CID 62812690) is 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2(C#N)CCCCC2)ccc1F.
What is the InChIKey of 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is VZOJRVCAHCFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-9-12(5-6-13(11)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 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide?
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62812690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).