3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide

C16H15Cl2NO3 — CID 707492

IUPAC3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide
SMILESCCOc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1
InChIInChI=1S/C16H15Cl2NO3/c1-3-22-11-6-4-10(5-7-11)19-16(20)14-12(17)8-9-13(18)15(14)21-2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyQMYPMOXLBOFXRG-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.65
Rot. Bonds5

About 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide

3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide (PubChem CID 707492) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide
PubChem CID707492
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide
SMILESCCOc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1
InChIInChI=1S/C16H15Cl2NO3/c1-3-22-11-6-4-10(5-7-11)19-16(20)14-12(17)8-9-13(18)15(14)21-2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyQMYPMOXLBOFXRG-UHFFFAOYSA-N
XLogP4.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide (CID 707492) is 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide is CCOc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1.
What is the InChIKey of 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide?
The InChIKey is QMYPMOXLBOFXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-3-22-11-6-4-10(5-7-11)19-16(20)14-12(17)8-9-13(18)15(14)21-2/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide?
3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide has a molecular weight of 340.21 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-ethoxyphenyl)-2-methoxybenzamide is sourced from PubChem (CID 707492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).