4-benzoyl-N-prop-2-enylbenzamide

C17H15NO2 — CID 2529944

IUPAC4-benzoyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-2-12-18-17(20)15-10-8-14(9-11-15)16(19)13-6-4-3-5-7-13/h2-11H,1,12H2,(H,18,20)
InChIKeyVAQPCGRBAOARIN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.83
Rot. Bonds5

About 4-benzoyl-N-prop-2-enylbenzamide

4-benzoyl-N-prop-2-enylbenzamide (PubChem CID 2529944) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-benzoyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-benzoyl-N-prop-2-enylbenzamide
PubChem CID2529944
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-benzoyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-2-12-18-17(20)15-10-8-14(9-11-15)16(19)13-6-4-3-5-7-13/h2-11H,1,12H2,(H,18,20)
InChIKeyVAQPCGRBAOARIN-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-prop-2-enylbenzamide?
The IUPAC name of 4-benzoyl-N-prop-2-enylbenzamide (CID 2529944) is 4-benzoyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-benzoyl-N-prop-2-enylbenzamide?
The canonical SMILES for 4-benzoyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-prop-2-enylbenzamide?
The InChIKey is VAQPCGRBAOARIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-12-18-17(20)15-10-8-14(9-11-15)16(19)13-6-4-3-5-7-13/h2-11H,1,12H2,(H,18,20).
What are the key properties of 4-benzoyl-N-prop-2-enylbenzamide?
4-benzoyl-N-prop-2-enylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 2529944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).