N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide

C22H17NO2 — CID 89316701

IUPACN-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide
SMILESO=C/C(=C\c1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H17NO2/c24-16-19(15-17-9-3-1-4-10-17)23-22(25)21-14-8-7-13-20(21)18-11-5-2-6-12-18/h1-16H,(H,23,25)/b19-15+
InChIKeyNPSQMRQTVNDJNZ-XDJHFCHBSA-N
MW327.38 g/mol
LogP4.32
Rot. Bonds5

About N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide

N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide (PubChem CID 89316701) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide
PubChem CID89316701
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC NameN-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide
SMILESO=C/C(=C\c1ccccc1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H17NO2/c24-16-19(15-17-9-3-1-4-10-17)23-22(25)21-14-8-7-13-20(21)18-11-5-2-6-12-18/h1-16H,(H,23,25)/b19-15+
InChIKeyNPSQMRQTVNDJNZ-XDJHFCHBSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide?
The IUPAC name of N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide (CID 89316701) is N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide?
The canonical SMILES for N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide is O=C/C(=C\c1ccccc1)NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide?
The InChIKey is NPSQMRQTVNDJNZ-XDJHFCHBSA-N. The full InChI is InChI=1S/C22H17NO2/c24-16-19(15-17-9-3-1-4-10-17)23-22(25)21-14-8-7-13-20(21)18-11-5-2-6-12-18/h1-16H,(H,23,25)/b19-15+.
What are the key properties of N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide?
N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide has a molecular weight of 327.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide is sourced from PubChem (CID 89316701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).