4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide

C14H16F4N2O — CID 63188254

IUPAC4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESNc1ccc(C(=O)NC2CCCCC2C(F)(F)F)cc1F
InChIInChI=1S/C14H16F4N2O/c15-10-7-8(5-6-11(10)19)13(21)20-12-4-2-1-3-9(12)14(16,17)18/h5-7,9,12H,1-4,19H2,(H,20,21)
InChIKeyHXACOTYBBHOOKD-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.26
Rot. Bonds2

About 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide

4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 63188254) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID63188254
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESNc1ccc(C(=O)NC2CCCCC2C(F)(F)F)cc1F
InChIInChI=1S/C14H16F4N2O/c15-10-7-8(5-6-11(10)19)13(21)20-12-4-2-1-3-9(12)14(16,17)18/h5-7,9,12H,1-4,19H2,(H,20,21)
InChIKeyHXACOTYBBHOOKD-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.26
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

4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
CID 43699383
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 103754162
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 52501616
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
4-(cyclopropanecarbonylamino)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534252
4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
CID 62680438
4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
CID 106006332

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide (CID 63188254) is 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide is Nc1ccc(C(=O)NC2CCCCC2C(F)(F)F)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is HXACOTYBBHOOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-10-7-8(5-6-11(10)19)13(21)20-12-4-2-1-3-9(12)14(16,17)18/h5-7,9,12H,1-4,19H2,(H,20,21).
What are the key properties of 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 304.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 63188254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).