1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone

C21H16F3NO — CID 134071873

IUPAC1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
SMILESO=C(c1ccccc1)C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)17-11-13-18(14-12-17)25-19(15-7-3-1-4-8-15)20(26)16-9-5-2-6-10-16/h1-14,19,25H
InChIKeyXFZWRESNNYRYAL-UHFFFAOYSA-N
MW355.36 g/mol
LogP5.74
Rot. Bonds5

About 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone

1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone (PubChem CID 134071873) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone.

Molecular Properties

Compound Name1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
PubChem CID134071873
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
SMILESO=C(c1ccccc1)C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)17-11-13-18(14-12-17)25-19(15-7-3-1-4-8-15)20(26)16-9-5-2-6-10-16/h1-14,19,25H
InChIKeyXFZWRESNNYRYAL-UHFFFAOYSA-N
XLogP5.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
4-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]benzoic acid
CID 175404529
2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 54412235
2-(4-tert-butylanilino)-2-phenylacetic acid
CID 103232176
1-(1,3-dihydroisoindol-2-yl)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 46178501
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
2-(diphenylphosphorylamino)-1,2-diphenylethanone
CID 86012008
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
2-anilino-2-[3-(trifluoromethyl)phenyl]acetamide
CID 61005725

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone?
The IUPAC name of 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone (CID 134071873) is 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone.
What is the SMILES notation for 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone?
The canonical SMILES for 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone is O=C(c1ccccc1)C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone?
The InChIKey is XFZWRESNNYRYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO/c22-21(23,24)17-11-13-18(14-12-17)25-19(15-7-3-1-4-8-15)20(26)16-9-5-2-6-10-16/h1-14,19,25H.
What are the key properties of 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone?
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone has a molecular weight of 355.36 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone is sourced from PubChem (CID 134071873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).