3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide

C17H17Cl2NO2 — CID 2788457

IUPAC3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C17H17Cl2NO2/c1-4-11-7-5-6-10(2)15(11)20-17(21)14-12(18)8-9-13(19)16(14)22-3/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeySTAPOPLZAWEIQZ-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.13
Rot. Bonds4

About 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide

3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide (PubChem CID 2788457) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide
PubChem CID2788457
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C17H17Cl2NO2/c1-4-11-7-5-6-10(2)15(11)20-17(21)14-12(18)8-9-13(19)16(14)22-3/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeySTAPOPLZAWEIQZ-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide 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-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
2-amino-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 7170402
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
3,6-dichloro-N-(2-ethoxyphenyl)-2-methoxybenzamide
CID 707490
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
CID 112997013
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide (CID 2788457) is 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide is CCc1cccc(C)c1NC(=O)c1c(Cl)ccc(Cl)c1OC.
What is the InChIKey of 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide?
The InChIKey is STAPOPLZAWEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-4-11-7-5-6-10(2)15(11)20-17(21)14-12(18)8-9-13(19)16(14)22-3/h5-9H,4H2,1-3H3,(H,20,21).
What are the key properties of 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide?
3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide has a molecular weight of 338.23 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 2788457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).