2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C17H18ClNO3 — CID 674895

IUPAC2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-21-15-8-7-12(11-16(15)22-2)9-10-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyYFYXLTNMCQBKPV-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.33
Rot. Bonds6

About 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 674895) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID674895
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-21-15-8-7-12(11-16(15)22-2)9-10-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyYFYXLTNMCQBKPV-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide 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 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 674895) is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is YFYXLTNMCQBKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-8-7-12(11-16(15)22-2)9-10-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 319.79 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 674895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).