(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one

C21H17NO — CID 39346527

IUPAC(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c23-21(15-16-22-20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16,22H/b16-15+
InChIKeyLZLTWISCHZLOIU-FOCLMDBBSA-N
MW299.37 g/mol
LogP5.16
Rot. Bonds5

About (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one

(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 39346527) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID39346527
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c23-21(15-16-22-20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16,22H/b16-15+
InChIKeyLZLTWISCHZLOIU-FOCLMDBBSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
ethyl 4-[[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]amino]benzoate
CID 39388469
1-(4-phenylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 4693388
(E)-3-anilino-1-(4-tert-butylphenyl)prop-2-en-1-one
CID 139030211
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
CID 2244710
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651
(E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one
CID 126092569
3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 799151
(E)-1-(4-methylphenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 17088000
(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346357

Frequently Asked Questions

What is the IUPAC name of (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one (CID 39346527) is (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one is O=C(/C=C/Nc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is LZLTWISCHZLOIU-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H17NO/c23-21(15-16-22-20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16,22H/b16-15+.
What are the key properties of (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one?
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 299.37 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 39346527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).