(Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one

C22H16F3NO — CID 53385273

IUPAC(Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
SMILESO=C(/C=C(\Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16F3NO/c23-22(24,25)18-12-7-13-19(14-18)26-20(16-8-3-1-4-9-16)15-21(27)17-10-5-2-6-11-17/h1-15,26H/b20-15-
InChIKeyUUKDAMRFLXJQRF-HKWRFOASSA-N
MW367.37 g/mol
LogP6.04
Rot. Bonds5

About (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one

(Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one (PubChem CID 53385273) has the molecular formula C22H16F3NO and a molecular weight of 367.37 g/mol. Its IUPAC name is (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
PubChem CID53385273
Molecular FormulaC22H16F3NO
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC Name(Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
SMILESO=C(/C=C(\Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16F3NO/c23-22(24,25)18-12-7-13-19(14-18)26-20(16-8-3-1-4-9-16)15-21(27)17-10-5-2-6-11-17/h1-15,26H/b20-15-
InChIKeyUUKDAMRFLXJQRF-HKWRFOASSA-N
XLogP6.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-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

methyl 4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoate
CID 3124212
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
CID 89006052
CID 89006052
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one?
The IUPAC name of (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one (CID 53385273) is (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one.
What is the SMILES notation for (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one?
The canonical SMILES for (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one is O=C(/C=C(\Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one?
The InChIKey is UUKDAMRFLXJQRF-HKWRFOASSA-N. The full InChI is InChI=1S/C22H16F3NO/c23-22(24,25)18-12-7-13-19(14-18)26-20(16-8-3-1-4-9-16)15-21(27)17-10-5-2-6-11-17/h1-15,26H/b20-15-.
What are the key properties of (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one?
(Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one has a molecular weight of 367.37 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one is sourced from PubChem (CID 53385273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).