(4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one

C23H16F3NO — CID 42611893

IUPAC(4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1C(c2ccccc2)/C(=C\c2ccccc2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3NO/c24-23(25,26)18-11-13-19(14-12-18)27-20(15-16-7-3-1-4-8-16)21(22(27)28)17-9-5-2-6-10-17/h1-15,21H/b20-15+
InChIKeyXVNCZUKOJIWQMO-HMMYKYKNSA-N
MW379.38 g/mol
LogP5.88
Rot. Bonds3

About (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one

(4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 42611893) has the molecular formula C23H16F3NO and a molecular weight of 379.38 g/mol. Its IUPAC name is (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID42611893
Molecular FormulaC23H16F3NO
Molecular Weight379.38 g/mol
Exact Mass379.12
IUPAC Name(4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1C(c2ccccc2)/C(=C\c2ccccc2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3NO/c24-23(25,26)18-11-13-19(14-12-18)27-20(15-16-7-3-1-4-8-16)21(22(27)28)17-9-5-2-6-10-17/h1-15,21H/b20-15+
InChIKeyXVNCZUKOJIWQMO-HMMYKYKNSA-N
XLogP5.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-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

1,4-Diphenyl-3-propyl-2-azetidinone
CID 3533883
2,2-Diphenylacetanilide
CID 252606
N-phenyl-2-(4-phenylphenyl)acetamide
CID 4852740
2,2-Diphenyl-N-P-tolyl-acetamide
CID 344833
3-Benzyl-3-ethyl-1-phenylazetidine-2,4-dione
CID 44626901
2-(2-fluorophenyl)-N-(2-phenylphenyl)acetamide
CID 2547062
1-(4-Methylphenyl)-4-phenyl-3-(piperidinomethyl)-2-azetanone
CID 4314823
3,3-Difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 5062275
2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 3145065
N-biphenyl-2-yl-2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-acetamide
CID 18546495
N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide
CID 71584413
N-(4-methylphenyl)-2-phenylbutanamide
CID 2889763

Frequently Asked Questions

What is the IUPAC name of (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one (CID 42611893) is (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one is O=C1C(c2ccccc2)/C(=C\c2ccccc2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is XVNCZUKOJIWQMO-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H16F3NO/c24-23(25,26)18-11-13-19(14-12-18)27-20(15-16-7-3-1-4-8-16)21(22(27)28)17-9-5-2-6-10-17/h1-15,21H/b20-15+.
What are the key properties of (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one?
(4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 379.38 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-3-phenyl-1-[4-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 42611893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).