4-benzoyl-N,N-diethylbenzamide

C18H19NO2 — CID 755990

IUPAC4-benzoyl-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-19(4-2)18(21)16-12-10-15(11-13-16)17(20)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyADSJIDIMDOQATJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.40
Rot. Bonds5

About 4-benzoyl-N,N-diethylbenzamide

4-benzoyl-N,N-diethylbenzamide (PubChem CID 755990) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-benzoyl-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-benzoyl-N,N-diethylbenzamide
PubChem CID755990
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-benzoyl-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-19(4-2)18(21)16-12-10-15(11-13-16)17(20)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyADSJIDIMDOQATJ-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzoyl-N,N-diethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N,N-diethylbenzamide?
The IUPAC name of 4-benzoyl-N,N-diethylbenzamide (CID 755990) is 4-benzoyl-N,N-diethylbenzamide.
What is the SMILES notation for 4-benzoyl-N,N-diethylbenzamide?
The canonical SMILES for 4-benzoyl-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N,N-diethylbenzamide?
The InChIKey is ADSJIDIMDOQATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-19(4-2)18(21)16-12-10-15(11-13-16)17(20)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 4-benzoyl-N,N-diethylbenzamide?
4-benzoyl-N,N-diethylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N,N-diethylbenzamide is sourced from PubChem (CID 755990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).