4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide

C15H19F3N2O — CID 62156411

IUPAC4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(N)c(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C15H19F3N2O/c1-20(11-5-3-2-4-6-11)14(21)10-7-8-13(19)12(9-10)15(16,17)18/h7-9,11H,2-6,19H2,1H3
InChIKeyUBYQSTMDDONGEB-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.69
Rot. Bonds2

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

4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 62156411) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID62156411
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(N)c(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C15H19F3N2O/c1-20(11-5-3-2-4-6-11)14(21)10-7-8-13(19)12(9-10)15(16,17)18/h7-9,11H,2-6,19H2,1H3
InChIKeyUBYQSTMDDONGEB-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide (CID 62156411) is 4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide is CN(C(=O)c1ccc(N)c(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of 4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is UBYQSTMDDONGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20(11-5-3-2-4-6-11)14(21)10-7-8-13(19)12(9-10)15(16,17)18/h7-9,11H,2-6,19H2,1H3.
What are the key properties of 4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide?
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62156411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).