2-benzoyl-5-methylbenzamide

C15H13NO2 — CID 69123799

IUPAC2-benzoyl-5-methylbenzamide
SMILESCc1ccc(C(=O)c2ccccc2)c(C(N)=O)c1
InChIInChI=1S/C15H13NO2/c1-10-7-8-12(13(9-10)15(16)18)14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,18)
InChIKeyJKNIPXKKIDZVPR-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.32
Rot. Bonds3

About 2-benzoyl-5-methylbenzamide

2-benzoyl-5-methylbenzamide (PubChem CID 69123799) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-benzoyl-5-methylbenzamide.

Molecular Properties

Compound Name2-benzoyl-5-methylbenzamide
PubChem CID69123799
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-benzoyl-5-methylbenzamide
SMILESCc1ccc(C(=O)c2ccccc2)c(C(N)=O)c1
InChIInChI=1S/C15H13NO2/c1-10-7-8-12(13(9-10)15(16)18)14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,18)
InChIKeyJKNIPXKKIDZVPR-UHFFFAOYSA-N
XLogP2.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2-tert-butyl-5-methylphenyl)-phenylmethanone
CID 58452150
S-phenyl 2-benzoyl-4-methylbenzenecarbothioate
CID 10544566
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
2-acetyl-4-methylbenzamide
CID 163253724
(2-isothiocyanato-4-methylphenyl)-phenylmethanone
CID 18975079
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-methylbenzamide?
The IUPAC name of 2-benzoyl-5-methylbenzamide (CID 69123799) is 2-benzoyl-5-methylbenzamide.
What is the SMILES notation for 2-benzoyl-5-methylbenzamide?
The canonical SMILES for 2-benzoyl-5-methylbenzamide is Cc1ccc(C(=O)c2ccccc2)c(C(N)=O)c1.
What is the InChIKey of 2-benzoyl-5-methylbenzamide?
The InChIKey is JKNIPXKKIDZVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-7-8-12(13(9-10)15(16)18)14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,18).
What are the key properties of 2-benzoyl-5-methylbenzamide?
2-benzoyl-5-methylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-methylbenzamide is sourced from PubChem (CID 69123799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).