1-(4-benzoylphenyl)-2-iminoethanone

C15H11NO2 — CID 57228817

IUPAC1-(4-benzoylphenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11NO2/c16-10-14(17)11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-10,16H/b16-10+
InChIKeyHVNHBEHRQYJXSF-MHWRWJLKSA-N
MW237.26 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-benzoylphenyl)-2-iminoethanone

1-(4-benzoylphenyl)-2-iminoethanone (PubChem CID 57228817) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4-benzoylphenyl)-2-iminoethanone.

Molecular Properties

Compound Name1-(4-benzoylphenyl)-2-iminoethanone
PubChem CID57228817
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name1-(4-benzoylphenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11NO2/c16-10-14(17)11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-10,16H/b16-10+
InChIKeyHVNHBEHRQYJXSF-MHWRWJLKSA-N
XLogP2.75
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

diphenylmethanone
CID 3102
1-(4-benzoylphenyl)prop-2-en-1-one
CID 123338354
1-(3-hydroxyphenyl)-2-iminoethanone
CID 56609205
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
2-imino-1-[4-(methoxymethyl)phenyl]ethanone
CID 91176912
diphenylmethanone;isocyanic acid
CID 87839825

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylphenyl)-2-iminoethanone?
The IUPAC name of 1-(4-benzoylphenyl)-2-iminoethanone (CID 57228817) is 1-(4-benzoylphenyl)-2-iminoethanone.
What is the SMILES notation for 1-(4-benzoylphenyl)-2-iminoethanone?
The canonical SMILES for 1-(4-benzoylphenyl)-2-iminoethanone is [H]/N=C/C(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-benzoylphenyl)-2-iminoethanone?
The InChIKey is HVNHBEHRQYJXSF-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H11NO2/c16-10-14(17)11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-10,16H/b16-10+.
What are the key properties of 1-(4-benzoylphenyl)-2-iminoethanone?
1-(4-benzoylphenyl)-2-iminoethanone has a molecular weight of 237.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylphenyl)-2-iminoethanone is sourced from PubChem (CID 57228817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).