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

C15H21FN2O2 — CID 64550833

IUPAC1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCCC(C)C2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-4-3-7-15(17,9-10)14(19)18-11-5-6-13(20-2)12(16)8-11/h5-6,8,10H,3-4,7,9,17H2,1-2H3,(H,18,19)
InChIKeyXHRJJZZZOLRLEM-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.68
Rot. Bonds3

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

1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64550833) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64550833
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCCC(C)C2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-4-3-7-15(17,9-10)14(19)18-11-5-6-13(20-2)12(16)8-11/h5-6,8,10H,3-4,7,9,17H2,1-2H3,(H,18,19)
InChIKeyXHRJJZZZOLRLEM-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550233
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
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-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64551670
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 123914370
trans-(1S,3R)-N-(3-chloro-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707553
1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 119747542
1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 103585988

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide (CID 64550833) is 1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(N)CCCC(C)C2)cc1F.
What is the InChIKey of 1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is XHRJJZZZOLRLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-4-3-7-15(17,9-10)14(19)18-11-5-6-13(20-2)12(16)8-11/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-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64550833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).