N,N-diethyl-4-phenylbenzamide

C17H19NO — CID 791562

IUPACN,N-diethyl-4-phenylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-3-18(4-2)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyJDYNDIYPHHIEGW-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.84
Rot. Bonds4

About N,N-diethyl-4-phenylbenzamide

N,N-diethyl-4-phenylbenzamide (PubChem CID 791562) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N,N-diethyl-4-phenylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-phenylbenzamide
PubChem CID791562
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN,N-diethyl-4-phenylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-3-18(4-2)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyJDYNDIYPHHIEGW-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-diethyl-4-phenylbenzamide 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 N,N-diethyl-4-phenylbenzamide?
The IUPAC name of N,N-diethyl-4-phenylbenzamide (CID 791562) is N,N-diethyl-4-phenylbenzamide.
What is the SMILES notation for N,N-diethyl-4-phenylbenzamide?
The canonical SMILES for N,N-diethyl-4-phenylbenzamide is CCN(CC)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-phenylbenzamide?
The InChIKey is JDYNDIYPHHIEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-18(4-2)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-phenylbenzamide?
N,N-diethyl-4-phenylbenzamide has a molecular weight of 253.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-phenylbenzamide is sourced from PubChem (CID 791562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).