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

C22H20FNO — CID 971422

IUPAC(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
SMILESCc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FNO/c1-16-7-9-18(10-8-16)22(25)15-21(17-5-3-2-4-6-17)24-20-13-11-19(23)12-14-20/h2-14,21,24H,15H2,1H3/t21-/m1/s1
InChIKeySCMDOGKDSSRISP-OAQYLSRUSA-N
MW333.41 g/mol
LogP5.56
Rot. Bonds6

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

(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one (PubChem CID 971422) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is (3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
PubChem CID971422
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
SMILESCc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FNO/c1-16-7-9-18(10-8-16)22(25)15-21(17-5-3-2-4-6-17)24-20-13-11-19(23)12-14-20/h2-14,21,24H,15H2,1H3/t21-/m1/s1
InChIKeySCMDOGKDSSRISP-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

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Related Compounds

(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
(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)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of (3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one (CID 971422) is (3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for (3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one is Cc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is SCMDOGKDSSRISP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20FNO/c1-16-7-9-18(10-8-16)22(25)15-21(17-5-3-2-4-6-17)24-20-13-11-19(23)12-14-20/h2-14,21,24H,15H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one?
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-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)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 971422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).