N-(1-oxo-1-phenylpropan-2-ylidene)benzamide

C16H13NO2 — CID 23255289

IUPACN-(1-oxo-1-phenylpropan-2-ylidene)benzamide
SMILESC/C(=N\C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H13NO2/c1-12(15(18)13-8-4-2-5-9-13)17-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-12+
InChIKeyNVXMYOVQMPRHMY-SFQUDFHCSA-N
MW251.29 g/mol
LogP3.17
Rot. Bonds3

About N-(1-oxo-1-phenylpropan-2-ylidene)benzamide

N-(1-oxo-1-phenylpropan-2-ylidene)benzamide (PubChem CID 23255289) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(1-oxo-1-phenylpropan-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(1-oxo-1-phenylpropan-2-ylidene)benzamide
PubChem CID23255289
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC NameN-(1-oxo-1-phenylpropan-2-ylidene)benzamide
SMILESC/C(=N\C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H13NO2/c1-12(15(18)13-8-4-2-5-9-13)17-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-12+
InChIKeyNVXMYOVQMPRHMY-SFQUDFHCSA-N
XLogP3.17
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
ethane;propane;N-propan-2-ylidenebenzamide
CID 91020892
N-[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
CID 130341387
N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
CID 152519841
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino] benzoate
CID 6537974
ethane;1-phenylpropane-1,2-dione
CID 91588764
methyl N-benzoylbenzenecarboximidothioate
CID 134892296

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-phenylpropan-2-ylidene)benzamide?
The IUPAC name of N-(1-oxo-1-phenylpropan-2-ylidene)benzamide (CID 23255289) is N-(1-oxo-1-phenylpropan-2-ylidene)benzamide.
What is the SMILES notation for N-(1-oxo-1-phenylpropan-2-ylidene)benzamide?
The canonical SMILES for N-(1-oxo-1-phenylpropan-2-ylidene)benzamide is C/C(=N\C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-(1-oxo-1-phenylpropan-2-ylidene)benzamide?
The InChIKey is NVXMYOVQMPRHMY-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H13NO2/c1-12(15(18)13-8-4-2-5-9-13)17-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-12+.
What are the key properties of N-(1-oxo-1-phenylpropan-2-ylidene)benzamide?
N-(1-oxo-1-phenylpropan-2-ylidene)benzamide has a molecular weight of 251.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-phenylpropan-2-ylidene)benzamide is sourced from PubChem (CID 23255289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).