(E)-4-(3-benzoylanilino)pent-3-en-2-one

C18H17NO2 — CID 5394267

IUPAC(E)-4-(3-benzoylanilino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO2/c1-13(11-14(2)20)19-17-10-6-9-16(12-17)18(21)15-7-4-3-5-8-15/h3-12,19H,1-2H3/b13-11+
InChIKeySYEUOMQFIJBEOY-ACCUITESSA-N
MW279.34 g/mol
LogP3.82
Rot. Bonds5

About (E)-4-(3-benzoylanilino)pent-3-en-2-one

(E)-4-(3-benzoylanilino)pent-3-en-2-one (PubChem CID 5394267) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (E)-4-(3-benzoylanilino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(3-benzoylanilino)pent-3-en-2-one
PubChem CID5394267
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(E)-4-(3-benzoylanilino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO2/c1-13(11-14(2)20)19-17-10-6-9-16(12-17)18(21)15-7-4-3-5-8-15/h3-12,19H,1-2H3/b13-11+
InChIKeySYEUOMQFIJBEOY-ACCUITESSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-(3-benzoylanilino)pent-3-en-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

[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
2-(3-benzoylanilino)ethene-1,1,2-tricarbonitrile
CID 168606423
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
(E)-3-anilinobut-2-enoic acid
CID 89350388
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
3-(3,4-dichloroanilino)-1-phenylbut-2-en-1-one
CID 867749
2-(3-benzoylanilino)propanoic acid;hydrate
CID 23341865
(E)-3-(3-bromoanilino)-1-(4-bromophenyl)but-2-en-1-one
CID 39346840
(E)-3-(4-fluoro-3-methylanilino)-1-phenylbut-2-en-1-one
CID 6311790
N-(3-benzoylphenyl)-3-methoxy-4-methylbenzamide
CID 52843930
(E)-3-(3-methylanilino)-1-(4-methylphenyl)but-2-en-1-one
CID 39346765
N-(3-benzoyl-5-phenylphenyl)acetamide
CID 59842795

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-benzoylanilino)pent-3-en-2-one?
The IUPAC name of (E)-4-(3-benzoylanilino)pent-3-en-2-one (CID 5394267) is (E)-4-(3-benzoylanilino)pent-3-en-2-one.
What is the SMILES notation for (E)-4-(3-benzoylanilino)pent-3-en-2-one?
The canonical SMILES for (E)-4-(3-benzoylanilino)pent-3-en-2-one is CC(=O)/C=C(\C)Nc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (E)-4-(3-benzoylanilino)pent-3-en-2-one?
The InChIKey is SYEUOMQFIJBEOY-ACCUITESSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(11-14(2)20)19-17-10-6-9-16(12-17)18(21)15-7-4-3-5-8-15/h3-12,19H,1-2H3/b13-11+.
What are the key properties of (E)-4-(3-benzoylanilino)pent-3-en-2-one?
(E)-4-(3-benzoylanilino)pent-3-en-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-benzoylanilino)pent-3-en-2-one is sourced from PubChem (CID 5394267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).