1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone

C16H14F3NO2 — CID 174618366

IUPAC1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone
SMILESCON(Cc1ccccc1)c1ccccc1C(=O)C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c1-22-20(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(21)16(17,18)19/h2-10H,11H2,1H3
InChIKeyAUVBBEJVFBEIDX-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.00
Rot. Bonds5

About 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone

1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone (PubChem CID 174618366) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone
PubChem CID174618366
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone
SMILESCON(Cc1ccccc1)c1ccccc1C(=O)C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c1-22-20(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(21)16(17,18)19/h2-10H,11H2,1H3
InChIKeyAUVBBEJVFBEIDX-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone 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 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone (CID 174618366) is 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone is CON(Cc1ccccc1)c1ccccc1C(=O)C(F)(F)F.
What is the InChIKey of 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone?
The InChIKey is AUVBBEJVFBEIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-22-20(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(21)16(17,18)19/h2-10H,11H2,1H3.
What are the key properties of 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone?
1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone has a molecular weight of 309.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 174618366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).