2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide

C23H20Cl2N2O2 — CID 24979887

IUPAC2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H20Cl2N2O2/c1-27(15-21(28)26-22-19(24)12-7-13-20(22)25)23(29)18-11-6-5-10-17(18)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyOKYRJXQHRQBPAZ-UHFFFAOYSA-N
MW427.33 g/mol
LogP5.29
Rot. Bonds6

About 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide

2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 24979887) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID24979887
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC Name2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H20Cl2N2O2/c1-27(15-21(28)26-22-19(24)12-7-13-20(22)25)23(29)18-11-6-5-10-17(18)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyOKYRJXQHRQBPAZ-UHFFFAOYSA-N
XLogP5.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide (CID 24979887) is 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is OKYRJXQHRQBPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-27(15-21(28)26-22-19(24)12-7-13-20(22)25)23(29)18-11-6-5-10-17(18)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,26,28).
What are the key properties of 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide?
2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 427.33 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 24979887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).