(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one

C22H20FNO — CID 51695922

IUPAC(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
SMILESCc1ccc(N[C@H](CC(=O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FNO/c1-16-7-13-20(14-8-16)24-21(17-5-3-2-4-6-17)15-22(25)18-9-11-19(23)12-10-18/h2-14,21,24H,15H2,1H3/t21-/m1/s1
InChIKeyYVTIWRDIEHXJEJ-OAQYLSRUSA-N
MW333.41 g/mol
LogP5.56
Rot. Bonds6

About (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one

(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one (PubChem CID 51695922) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
PubChem CID51695922
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
SMILESCc1ccc(N[C@H](CC(=O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FNO/c1-16-7-13-20(14-8-16)24-21(17-5-3-2-4-6-17)15-22(25)18-9-11-19(23)12-10-18/h2-14,21,24H,15H2,1H3/t21-/m1/s1
InChIKeyYVTIWRDIEHXJEJ-OAQYLSRUSA-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

Analyze (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-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-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(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
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
(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
(3S)-1,3-bis(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-one
CID 7034447
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336
3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 17384404
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541
3-(3-bromoanilino)-1-(4-fluorophenyl)-3-phenylpropan-1-one
CID 2975163

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one?
The IUPAC name of (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one (CID 51695922) is (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one is Cc1ccc(N[C@H](CC(=O)c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one?
The InChIKey is YVTIWRDIEHXJEJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20FNO/c1-16-7-13-20(14-8-16)24-21(17-5-3-2-4-6-17)15-22(25)18-9-11-19(23)12-10-18/h2-14,21,24H,15H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one?
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-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 (3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one is sourced from PubChem (CID 51695922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).