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

C15H19F3N2O — CID 43712748

IUPAC4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2C(F)(F)F)ccc1N
InChIInChI=1S/C15H19F3N2O/c1-9-8-10(6-7-12(9)19)14(21)20-13-5-3-2-4-11(13)15(16,17)18/h6-8,11,13H,2-5,19H2,1H3,(H,20,21)
InChIKeyAKJDGOVMNRWORH-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.43
Rot. Bonds2

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

4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 43712748) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID43712748
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2C(F)(F)F)ccc1N
InChIInChI=1S/C15H19F3N2O/c1-9-8-10(6-7-12(9)19)14(21)20-13-5-3-2-4-11(13)15(16,17)18/h6-8,11,13H,2-5,19H2,1H3,(H,20,21)
InChIKeyAKJDGOVMNRWORH-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.43
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-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
CID 43699383
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 52501616
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 103754162
2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 62792561
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide (CID 43712748) is 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide is Cc1cc(C(=O)NC2CCCCC2C(F)(F)F)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is AKJDGOVMNRWORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9-8-10(6-7-12(9)19)14(21)20-13-5-3-2-4-11(13)15(16,17)18/h6-8,11,13H,2-5,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 300.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 43712748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).