3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide

C17H17Cl2NO2 — CID 113100933

IUPAC3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C17H17Cl2NO2/c1-11-4-3-5-16(12(11)2)22-9-8-20-17(21)13-6-7-14(18)15(19)10-13/h3-7,10H,8-9H2,1-2H3,(H,20,21)
InChIKeyFJUPYTBPOPZVOP-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.42
Rot. Bonds5

About 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide

3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide (PubChem CID 113100933) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
PubChem CID113100933
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C17H17Cl2NO2/c1-11-4-3-5-16(12(11)2)22-9-8-20-17(21)13-6-7-14(18)15(19)10-13/h3-7,10H,8-9H2,1-2H3,(H,20,21)
InChIKeyFJUPYTBPOPZVOP-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)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

Related Compounds

3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
3-bromo-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100932
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51065574
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165986
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 60538447
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]butanamide
CID 133165997
1-(3,4-dichlorophenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878230
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide (CID 113100933) is 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide?
The InChIKey is FJUPYTBPOPZVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-11-4-3-5-16(12(11)2)22-9-8-20-17(21)13-6-7-14(18)15(19)10-13/h3-7,10H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide?
3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide has a molecular weight of 338.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113100933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).