(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one

C21H17NO — CID 54601920

IUPAC(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one
SMILESO=C(/C=C\N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c23-21(18-10-4-1-5-11-18)16-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H/b17-16-
InChIKeyREVZDQYGWSDUJK-MSUUIHNZSA-N
MW299.37 g/mol
LogP5.22
Rot. Bonds5

About (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one

(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one (PubChem CID 54601920) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one
PubChem CID54601920
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one
SMILESO=C(/C=C\N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c23-21(18-10-4-1-5-11-18)16-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H/b17-16-
InChIKeyREVZDQYGWSDUJK-MSUUIHNZSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)prop-2-en-1-one
CID 10264418
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one
CID 10060825
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-4-hydroperoxy-4-methyl-1-phenylpent-2-en-1-one
CID 11424290
(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one
CID 15568556
(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
1-phenylhexa-2,4-dien-1-one
CID 57351073
(Z)-1-phenylpent-2-en-1-one
CID 91998885

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one?
The IUPAC name of (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one (CID 54601920) is (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one?
The canonical SMILES for (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one is O=C(/C=C\N(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one?
The InChIKey is REVZDQYGWSDUJK-MSUUIHNZSA-N. The full InChI is InChI=1S/C21H17NO/c23-21(18-10-4-1-5-11-18)16-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H/b17-16-.
What are the key properties of (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one?
(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one has a molecular weight of 299.37 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one is sourced from PubChem (CID 54601920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).