1-(2-benzoylphenyl)ethanone;molecular nitrogen

C15H12N2O2 — CID 174779565

IUPAC1-(2-benzoylphenyl)ethanone;molecular nitrogen
SMILESCC(=O)c1ccccc1C(=O)c1ccccc1.N#N
InChIInChI=1S/C15H12O2.N2/c1-11(16)13-9-5-6-10-14(13)15(17)12-7-3-2-4-8-12;1-2/h2-10H,1H3;
InChIKeyVYCMJUXGXYDLDC-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.15
Rot. Bonds3

About 1-(2-benzoylphenyl)ethanone;molecular nitrogen

1-(2-benzoylphenyl)ethanone;molecular nitrogen (PubChem CID 174779565) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)ethanone;molecular nitrogen.

Molecular Properties

Compound Name1-(2-benzoylphenyl)ethanone;molecular nitrogen
PubChem CID174779565
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-(2-benzoylphenyl)ethanone;molecular nitrogen
SMILESCC(=O)c1ccccc1C(=O)c1ccccc1.N#N
InChIInChI=1S/C15H12O2.N2/c1-11(16)13-9-5-6-10-14(13)15(17)12-7-3-2-4-8-12;1-2/h2-10H,1H3;
InChIKeyVYCMJUXGXYDLDC-UHFFFAOYSA-N
XLogP3.15
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
acetic acid;diphenylmethanone;hydrate
CID 161284686
N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)ethanone;molecular nitrogen?
The IUPAC name of 1-(2-benzoylphenyl)ethanone;molecular nitrogen (CID 174779565) is 1-(2-benzoylphenyl)ethanone;molecular nitrogen.
What is the SMILES notation for 1-(2-benzoylphenyl)ethanone;molecular nitrogen?
The canonical SMILES for 1-(2-benzoylphenyl)ethanone;molecular nitrogen is CC(=O)c1ccccc1C(=O)c1ccccc1.N#N.
What is the InChIKey of 1-(2-benzoylphenyl)ethanone;molecular nitrogen?
The InChIKey is VYCMJUXGXYDLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.N2/c1-11(16)13-9-5-6-10-14(13)15(17)12-7-3-2-4-8-12;1-2/h2-10H,1H3;.
What are the key properties of 1-(2-benzoylphenyl)ethanone;molecular nitrogen?
1-(2-benzoylphenyl)ethanone;molecular nitrogen has a molecular weight of 252.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)ethanone;molecular nitrogen is sourced from PubChem (CID 174779565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).