(E)-N-(2-benzoylphenyl)but-2-enamide

C17H15NO2 — CID 20555207

IUPAC(E)-N-(2-benzoylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-2-8-16(19)18-15-12-7-6-11-14(15)17(20)13-9-4-3-5-10-13/h2-12H,1H3,(H,18,19)/b8-2+
InChIKeyVEPCBJZQYBZIQQ-KRXBUXKQSA-N
MW265.31 g/mol
LogP3.43
Rot. Bonds4

About (E)-N-(2-benzoylphenyl)but-2-enamide

(E)-N-(2-benzoylphenyl)but-2-enamide (PubChem CID 20555207) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (E)-N-(2-benzoylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-benzoylphenyl)but-2-enamide
PubChem CID20555207
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(E)-N-(2-benzoylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-2-8-16(19)18-15-12-7-6-11-14(15)17(20)13-9-4-3-5-10-13/h2-12H,1H3,(H,18,19)/b8-2+
InChIKeyVEPCBJZQYBZIQQ-KRXBUXKQSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.43
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

(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
[2-(but-2-enylamino)phenyl]-phenylmethanone
CID 163414634
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
(Z)-N-phenylbut-2-enamide
CID 59909226
(Z)-4-[2-[(Z)-but-2-en-2-yl]anilino]-4-oxobut-2-enoic acid
CID 70492143
N-(2-benzoylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide
CID 16876901
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
(Z)-4-(2-acetylanilino)-4-oxobut-2-enoic acid
CID 6364927
N-(2-benzoylphenyl)cyclopropanecarboxamide
CID 607537
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-benzoylphenyl)but-2-enamide?
The IUPAC name of (E)-N-(2-benzoylphenyl)but-2-enamide (CID 20555207) is (E)-N-(2-benzoylphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-benzoylphenyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-benzoylphenyl)but-2-enamide is C/C=C/C(=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (E)-N-(2-benzoylphenyl)but-2-enamide?
The InChIKey is VEPCBJZQYBZIQQ-KRXBUXKQSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-8-16(19)18-15-12-7-6-11-14(15)17(20)13-9-4-3-5-10-13/h2-12H,1H3,(H,18,19)/b8-2+.
What are the key properties of (E)-N-(2-benzoylphenyl)but-2-enamide?
(E)-N-(2-benzoylphenyl)but-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-benzoylphenyl)but-2-enamide is sourced from PubChem (CID 20555207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).