4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide

C15H19F3N2O — CID 62153973

IUPAC4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(N)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-9-2-5-11(6-3-9)20-14(21)10-4-7-13(19)12(8-10)15(16,17)18/h4,7-9,11H,2-3,5-6,19H2,1H3,(H,20,21)
InChIKeyQOYOIOJMDVNWKO-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.60
Rot. Bonds2

About 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide

4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide (PubChem CID 62153973) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide
PubChem CID62153973
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(N)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-9-2-5-11(6-3-9)20-14(21)10-4-7-13(19)12(8-10)15(16,17)18/h4,7-9,11H,2-3,5-6,19H2,1H3,(H,20,21)
InChIKeyQOYOIOJMDVNWKO-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
CID 114540505
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
CID 113434643
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
CID 114540566

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide (CID 62153973) is 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide is CC1CCC(NC(=O)c2ccc(N)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide?
The InChIKey is QOYOIOJMDVNWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9-2-5-11(6-3-9)20-14(21)10-4-7-13(19)12(8-10)15(16,17)18/h4,7-9,11H,2-3,5-6,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide?
4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62153973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).