3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one

C21H16ClF2NO — CID 122213921

IUPAC3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClF2NO/c22-17-13-11-15(12-14-17)19(25-18-9-5-2-6-10-18)21(23,24)20(26)16-7-3-1-4-8-16/h1-14,19,25H
InChIKeyDOOOJVHYDACDJH-UHFFFAOYSA-N
MW371.81 g/mol
LogP6.01
Rot. Bonds6

About 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one

3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one (PubChem CID 122213921) has the molecular formula C21H16ClF2NO and a molecular weight of 371.81 g/mol. Its IUPAC name is 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one
PubChem CID122213921
Molecular FormulaC21H16ClF2NO
Molecular Weight371.81 g/mol
Exact Mass371.09
IUPAC Name3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClF2NO/c22-17-13-11-15(12-14-17)19(25-18-9-5-2-6-10-18)21(23,24)20(26)16-7-3-1-4-8-16/h1-14,19,25H
InChIKeyDOOOJVHYDACDJH-UHFFFAOYSA-N
XLogP6.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.81
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide
CID 135004139
(2S)-2-anilino-2-(4-chlorophenyl)acetate
CID 7148177
4-[(2,2,2-trifluoro-1-phenylethyl)amino]benzoic acid
CID 132516842
2-(4-chloroanilino)-1-phenylpropan-1-one
CID 14026529
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one
CID 135010165
(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide
CID 107811192
(3R,4R)-4-anilino-1-tert-butylsulfinyl-4-(4-chlorophenyl)-3-methylbutan-2-one
CID 102167728
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
3,3-bis(4-chlorophenyl)-2,2-difluoro-1-phenylbutan-1-one
CID 156695080
4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
CID 978938

Frequently Asked Questions

What is the IUPAC name of 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one?
The IUPAC name of 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one (CID 122213921) is 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one.
What is the SMILES notation for 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one?
The canonical SMILES for 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one is O=C(c1ccccc1)C(F)(F)C(Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one?
The InChIKey is DOOOJVHYDACDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2NO/c22-17-13-11-15(12-14-17)19(25-18-9-5-2-6-10-18)21(23,24)20(26)16-7-3-1-4-8-16/h1-14,19,25H.
What are the key properties of 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one?
3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one has a molecular weight of 371.81 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one is sourced from PubChem (CID 122213921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).