2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide

C15H13F3N2O — CID 170343404

IUPAC2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide
SMILESCNc1c(C(N)=O)ccc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C15H13F3N2O/c1-20-13-10(14(19)21)7-8-11(15(16,17)18)12(13)9-5-3-2-4-6-9/h2-8,20H,1H3,(H2,19,21)
InChIKeyLOQJHHDHQVNNEM-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.51
Rot. Bonds3

About 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide

2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide (PubChem CID 170343404) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide
PubChem CID170343404
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide
SMILESCNc1c(C(N)=O)ccc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C15H13F3N2O/c1-20-13-10(14(19)21)7-8-11(15(16,17)18)12(13)9-5-3-2-4-6-9/h2-8,20H,1H3,(H2,19,21)
InChIKeyLOQJHHDHQVNNEM-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide (CID 170343404) is 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide is CNc1c(C(N)=O)ccc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide?
The InChIKey is LOQJHHDHQVNNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-20-13-10(14(19)21)7-8-11(15(16,17)18)12(13)9-5-3-2-4-6-9/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide?
2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 170343404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).