2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide

C17H17Cl2NO — CID 52573948

IUPAC2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
SMILESCCN(CCc1ccccc1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-2-20(12-11-13-7-4-3-5-8-13)17(21)14-9-6-10-15(18)16(14)19/h3-10H,2,11-12H2,1H3
InChIKeyKKHHJMLETIZZMK-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.70
Rot. Bonds5

About 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide

2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide (PubChem CID 52573948) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
PubChem CID52573948
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
SMILESCCN(CCc1ccccc1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-2-20(12-11-13-7-4-3-5-8-13)17(21)14-9-6-10-15(18)16(14)19/h3-10H,2,11-12H2,1H3
InChIKeyKKHHJMLETIZZMK-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
2-amino-N-ethyl-3-fluoro-N-(2-phenylethyl)benzamide
CID 81499615
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
CID 63393170
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790334
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110755663
2,3-dichloro-N-propyl-N-prop-2-ynylbenzamide
CID 78971088
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-2-carboxamide
CID 107261843

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide (CID 52573948) is 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide is CCN(CCc1ccccc1)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide?
The InChIKey is KKHHJMLETIZZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-2-20(12-11-13-7-4-3-5-8-13)17(21)14-9-6-10-15(18)16(14)19/h3-10H,2,11-12H2,1H3.
What are the key properties of 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide?
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide has a molecular weight of 322.24 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 52573948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).