(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one

C22H20FNO2 — CID 704697

IUPAC(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FNO2/c1-26-20-13-7-16(8-14-20)21(24-19-11-9-18(23)10-12-19)15-22(25)17-5-3-2-4-6-17/h2-14,21,24H,15H2,1H3/t21-/m0/s1
InChIKeyVGZASOWFJNZLBC-NRFANRHFSA-N
MW349.41 g/mol
LogP5.26
Rot. Bonds7

About (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one

(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one (PubChem CID 704697) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
PubChem CID704697
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FNO2/c1-26-20-13-7-16(8-14-20)21(24-19-11-9-18(23)10-12-19)15-22(25)17-5-3-2-4-6-17/h2-14,21,24H,15H2,1H3/t21-/m0/s1
InChIKeyVGZASOWFJNZLBC-NRFANRHFSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
(3R)-3-(4-bromoanilino)-3-(4-fluorophenyl)-1-phenylpropan-1-one
CID 2222867
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
(3S)-3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 100817110
(3S)-1-(4-bromophenyl)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propan-1-one
CID 94844105
(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-anilino-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 2947002

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one (CID 704697) is (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one is COc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1.
What is the InChIKey of (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is VGZASOWFJNZLBC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-26-20-13-7-16(8-14-20)21(24-19-11-9-18(23)10-12-19)15-22(25)17-5-3-2-4-6-17/h2-14,21,24H,15H2,1H3/t21-/m0/s1.
What are the key properties of (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 349.41 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 704697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).