3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one

C22H20FNO — CID 132592034

IUPAC3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
SMILESCc1ccc(C(CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FNO/c1-16-7-9-17(10-8-16)21(24-20-13-11-19(23)12-14-20)15-22(25)18-5-3-2-4-6-18/h2-14,21,24H,15H2,1H3
InChIKeyBRFURHFLXVDISX-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.56
Rot. Bonds6

About 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one

3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one (PubChem CID 132592034) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
PubChem CID132592034
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
SMILESCc1ccc(C(CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FNO/c1-16-7-9-17(10-8-16)21(24-20-13-11-19(23)12-14-20)15-22(25)18-5-3-2-4-6-18/h2-14,21,24H,15H2,1H3
InChIKeyBRFURHFLXVDISX-UHFFFAOYSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
(3R)-3-(4-bromoanilino)-3-(4-fluorophenyl)-1-phenylpropan-1-one
CID 2222867
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
(3S)-1,3-bis(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-one
CID 7034447
3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593664
1-(4-chlorophenyl)-3-(4-methylanilino)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132591664

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one (CID 132592034) is 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one is Cc1ccc(C(CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one?
The InChIKey is BRFURHFLXVDISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-16-7-9-17(10-8-16)21(24-20-13-11-19(23)12-14-20)15-22(25)18-5-3-2-4-6-18/h2-14,21,24H,15H2,1H3.
What are the key properties of 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one?
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one has a molecular weight of 333.41 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 132592034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).