1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide

C15H21FN2O — CID 64548793

IUPAC1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCC(C)C2)cc1F
InChIInChI=1S/C15H21FN2O/c1-10-4-3-7-15(17,9-10)14(19)18-12-6-5-11(2)13(16)8-12/h5-6,8,10H,3-4,7,9,17H2,1-2H3,(H,18,19)
InChIKeyLYYFQHZCKIMTFA-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.98
Rot. Bonds2

About 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64548793) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64548793
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCC(C)C2)cc1F
InChIInChI=1S/C15H21FN2O/c1-10-4-3-7-15(17,9-10)14(19)18-12-6-5-11(2)13(16)8-12/h5-6,8,10H,3-4,7,9,17H2,1-2H3,(H,18,19)
InChIKeyLYYFQHZCKIMTFA-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 103585988
1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550233
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
CID 64551233
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
CID 64555277
1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
CID 64550871
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084
1-[(3-fluoro-4-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096062
1-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64549223
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide (CID 64548793) is 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2(N)CCCC(C)C2)cc1F.
What is the InChIKey of 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is LYYFQHZCKIMTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-4-3-7-15(17,9-10)14(19)18-12-6-5-11(2)13(16)8-12/h5-6,8,10H,3-4,7,9,17H2,1-2H3,(H,18,19).
What are the key properties of 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64548793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).