(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone

C14H10F3NO2 — CID 95420268

IUPAC(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
SMILESNc1ccccc1C(=O)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)8-5-6-12(19)10(7-8)13(20)9-3-1-2-4-11(9)18/h1-7,19H,18H2
InChIKeyIIMHDDRCLCUJEO-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.22
Rot. Bonds2

About (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone

(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone (PubChem CID 95420268) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
PubChem CID95420268
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone
SMILESNc1ccccc1C(=O)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)8-5-6-12(19)10(7-8)13(20)9-3-1-2-4-11(9)18/h1-7,19H,18H2
InChIKeyIIMHDDRCLCUJEO-UHFFFAOYSA-N
XLogP3.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone 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

(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
[2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627441
2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
CID 171830769
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
CID 115911534
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
CID 112556286
[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 115911568
N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 23070350
(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
CID 106647447
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
[2-amino-5-(trifluoromethyl)phenyl]-[(1E)-cycloocten-1-yl]methanone
CID 106652173
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone (CID 95420268) is (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone is Nc1ccccc1C(=O)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is IIMHDDRCLCUJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)8-5-6-12(19)10(7-8)13(20)9-3-1-2-4-11(9)18/h1-7,19H,18H2.
What are the key properties of (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone?
(2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 281.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[2-hydroxy-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 95420268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).