4-benzoyl-N,N-dimethylbenzamide

C16H15NO2 — CID 12779824

IUPAC4-benzoyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-17(2)16(19)14-10-8-13(9-11-14)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyPCWSBXUPLUWDBL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.62
Rot. Bonds3

About 4-benzoyl-N,N-dimethylbenzamide

4-benzoyl-N,N-dimethylbenzamide (PubChem CID 12779824) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-benzoyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-benzoyl-N,N-dimethylbenzamide
PubChem CID12779824
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-benzoyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-17(2)16(19)14-10-8-13(9-11-14)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyPCWSBXUPLUWDBL-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
2,2-dimethylpropane;diphenylmethanone
CID 159191976

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N,N-dimethylbenzamide?
The IUPAC name of 4-benzoyl-N,N-dimethylbenzamide (CID 12779824) is 4-benzoyl-N,N-dimethylbenzamide.
What is the SMILES notation for 4-benzoyl-N,N-dimethylbenzamide?
The canonical SMILES for 4-benzoyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N,N-dimethylbenzamide?
The InChIKey is PCWSBXUPLUWDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17(2)16(19)14-10-8-13(9-11-14)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 4-benzoyl-N,N-dimethylbenzamide?
4-benzoyl-N,N-dimethylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N,N-dimethylbenzamide is sourced from PubChem (CID 12779824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).