N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide

C15H13Cl2NO3 — CID 789234

IUPACN-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1
InChIInChI=1S/C15H13Cl2NO3/c1-20-9-6-7-10(13(8-9)21-2)15(19)18-12-5-3-4-11(16)14(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyPUIUZUHICNWZPJ-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.26
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide

N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide (PubChem CID 789234) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
PubChem CID789234
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1
InChIInChI=1S/C15H13Cl2NO3/c1-20-9-6-7-10(13(8-9)21-2)15(19)18-12-5-3-4-11(16)14(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyPUIUZUHICNWZPJ-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide (CID 789234) is N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide?
The InChIKey is PUIUZUHICNWZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-20-9-6-7-10(13(8-9)21-2)15(19)18-12-5-3-4-11(16)14(12)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide?
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide has a molecular weight of 326.18 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 789234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).