1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone

C15H12F3NO — CID 140584161

IUPAC1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C15H12F3NO/c1-10(20)12-8-5-9-13(14(12)15(16,17)18)19-11-6-3-2-4-7-11/h2-9,19H,1H3
InChIKeyYTQIIZQQEPNZDE-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.65
Rot. Bonds3

About 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone

1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 140584161) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone
PubChem CID140584161
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C15H12F3NO/c1-10(20)12-8-5-9-13(14(12)15(16,17)18)19-11-6-3-2-4-7-11/h2-9,19H,1H3
InChIKeyYTQIIZQQEPNZDE-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-anilinophenyl)methanone
CID 141301141
1-[2-(pyridin-4-ylamino)phenyl]ethanone
CID 82536637
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone
CID 43833315
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 21179492
2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091207
2-anilino-N,N-dicyclohexylbenzamide
CID 5089823
2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 11617162

Frequently Asked Questions

What is the IUPAC name of 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone (CID 140584161) is 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cccc(Nc2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is YTQIIZQQEPNZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-10(20)12-8-5-9-13(14(12)15(16,17)18)19-11-6-3-2-4-7-11/h2-9,19H,1H3.
What are the key properties of 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone?
1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 279.26 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-anilino-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 140584161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).