N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide

C16H13NO2 — CID 102308068

IUPACN-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
SMILESO=C(/C=C\NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(13-7-3-1-4-8-13)11-12-17-16(19)14-9-5-2-6-10-14/h1-12H,(H,17,19)/b12-11-
InChIKeyOAFOIWDJKZUOOX-QXMHVHEDSA-N
MW251.29 g/mol
LogP2.81
Rot. Bonds4

About N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide

N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide (PubChem CID 102308068) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
PubChem CID102308068
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC NameN-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
SMILESO=C(/C=C\NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(13-7-3-1-4-8-13)11-12-17-16(19)14-9-5-2-6-10-14/h1-12H,(H,17,19)/b12-11-
InChIKeyOAFOIWDJKZUOOX-QXMHVHEDSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.81
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

N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
CID 102327969
N-[(E)-3-oxo-3-phenylprop-1-enyl]propanamide
CID 121009504
N-[(Z)-2-methoxyethenyl]benzamide
CID 92959913
N-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide
CID 101460565
N-(3,3-dimethylbut-1-enyl)benzamide
CID 134831914
(E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one
CID 23591207
(E)-3-(2-methylpropylamino)-1-phenylprop-2-en-1-one
CID 23591201
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
N-[2-(4-hydroxyphenyl)ethenyl]benzamide
CID 571205
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
N-(2,2-dichloroethenyl)benzamide
CID 2131512

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide?
The IUPAC name of N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide (CID 102308068) is N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide.
What is the SMILES notation for N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide?
The canonical SMILES for N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide is O=C(/C=C\NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide?
The InChIKey is OAFOIWDJKZUOOX-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15(13-7-3-1-4-8-13)11-12-17-16(19)14-9-5-2-6-10-14/h1-12H,(H,17,19)/b12-11-.
What are the key properties of N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide?
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide is sourced from PubChem (CID 102308068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).