5-amino-2-[3-(trifluoromethyl)phenyl]benzamide

C14H11F3N2O — CID 174888951

IUPAC5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cc(N)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)9-3-1-2-8(6-9)11-5-4-10(18)7-12(11)13(19)20/h1-7H,18H2,(H2,19,20)
InChIKeyYEXSOOZAKYNNJT-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.05
Rot. Bonds2

About 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide

5-amino-2-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 174888951) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID174888951
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cc(N)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)9-3-1-2-8(6-9)11-5-4-10(18)7-12(11)13(19)20/h1-7H,18H2,(H2,19,20)
InChIKeyYEXSOOZAKYNNJT-UHFFFAOYSA-N
XLogP3.05
TPSA69.11 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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
5-amino-2-(4-aminophenyl)benzamide
CID 68787804
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
5-amino-2-(2,6-difluorophenyl)benzamide
CID 175316606
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
CID 122422474
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
5-amino-2-(2-aminophenyl)benzamide
CID 68784077

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide (CID 174888951) is 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cc(N)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YEXSOOZAKYNNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)9-3-1-2-8(6-9)11-5-4-10(18)7-12(11)13(19)20/h1-7H,18H2,(H2,19,20).
What are the key properties of 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide?
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 280.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 174888951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).