N-(2-aminophenyl)-4-(trifluoromethyl)benzamide

C14H11F3N2O — CID 572427

IUPACN-(2-aminophenyl)-4-(trifluoromethyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)10-7-5-9(6-8-10)13(20)19-12-4-2-1-3-11(12)18/h1-8H,18H2,(H,19,20)
InChIKeyYSPFTDIQDFVVLO-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.54
Rot. Bonds2

About N-(2-aminophenyl)-4-(trifluoromethyl)benzamide

N-(2-aminophenyl)-4-(trifluoromethyl)benzamide (PubChem CID 572427) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(trifluoromethyl)benzamide
PubChem CID572427
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-(2-aminophenyl)-4-(trifluoromethyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)10-7-5-9(6-8-10)13(20)19-12-4-2-1-3-11(12)18/h1-8H,18H2,(H,19,20)
InChIKeyYSPFTDIQDFVVLO-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-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 N-(2-aminophenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(trifluoromethyl)benzamide (CID 572427) is N-(2-aminophenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(trifluoromethyl)benzamide is Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is YSPFTDIQDFVVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)10-7-5-9(6-8-10)13(20)19-12-4-2-1-3-11(12)18/h1-8H,18H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-4-(trifluoromethyl)benzamide?
N-(2-aminophenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 280.25 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 572427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).