2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide

C14H19FN2O — CID 62073290

IUPAC2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H19FN2O/c1-9-4-2-3-5-13(9)17-14(18)11-7-6-10(15)8-12(11)16/h6-9,13H,2-5,16H2,1H3,(H,17,18)
InChIKeyFBKJYTIDVFMBMD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.72
Rot. Bonds2

About 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide

2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide (PubChem CID 62073290) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide
PubChem CID62073290
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H19FN2O/c1-9-4-2-3-5-13(9)17-14(18)11-7-6-10(15)8-12(11)16/h6-9,13H,2-5,16H2,1H3,(H,17,18)
InChIKeyFBKJYTIDVFMBMD-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide
CID 107121182
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
2-amino-4-methoxy-N-(2-methylcyclopentyl)benzamide
CID 115413242
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide
CID 63110638
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-amino-5-hydroxy-N-(2-methylcyclopentyl)benzamide
CID 107075272
5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide
CID 22518253
2-amino-3-fluoro-N-(2-methylcyclopentyl)benzamide
CID 63279485
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide (CID 62073290) is 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1NC(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide?
The InChIKey is FBKJYTIDVFMBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-4-2-3-5-13(9)17-14(18)11-7-6-10(15)8-12(11)16/h6-9,13H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide?
2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 62073290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).