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

C16H15Cl2NO2 — CID 707465

IUPAC3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H15Cl2NO2/c1-9-4-7-13(10(2)8-9)19-16(20)14-11(17)5-6-12(18)15(14)21-3/h4-8H,1-3H3,(H,19,20)
InChIKeyLMYGHJZQDHRZFC-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.87
Rot. Bonds3

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

3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide (PubChem CID 707465) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide
PubChem CID707465
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H15Cl2NO2/c1-9-4-7-13(10(2)8-9)19-16(20)14-11(17)5-6-12(18)15(14)21-3/h4-8H,1-3H3,(H,19,20)
InChIKeyLMYGHJZQDHRZFC-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide (CID 707465) is 3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide?
The InChIKey is LMYGHJZQDHRZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-9-4-7-13(10(2)8-9)19-16(20)14-11(17)5-6-12(18)15(14)21-3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide?
3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide has a molecular weight of 324.21 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,4-dimethylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 707465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).