1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one

C19H16Cl2N2O — CID 18880307

IUPAC1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one
SMILESCc1cc(Nc2cccc(Cl)c2Cl)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C19H16Cl2N2O/c1-13-10-15(22-17-9-5-8-16(20)19(17)21)11-18(24)23(13)12-14-6-3-2-4-7-14/h2-11,22H,12H2,1H3
InChIKeyXKXYEFFDSFILPI-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.26
Rot. Bonds4

About 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one

1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one (PubChem CID 18880307) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one
PubChem CID18880307
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one
SMILESCc1cc(Nc2cccc(Cl)c2Cl)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C19H16Cl2N2O/c1-13-10-15(22-17-9-5-8-16(20)19(17)21)11-18(24)23(13)12-14-6-3-2-4-7-14/h2-11,22H,12H2,1H3
InChIKeyXKXYEFFDSFILPI-UHFFFAOYSA-N
XLogP5.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one?
The IUPAC name of 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one (CID 18880307) is 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one.
What is the SMILES notation for 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one?
The canonical SMILES for 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one is Cc1cc(Nc2cccc(Cl)c2Cl)cc(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one?
The InChIKey is XKXYEFFDSFILPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c1-13-10-15(22-17-9-5-8-16(20)19(17)21)11-18(24)23(13)12-14-6-3-2-4-7-14/h2-11,22H,12H2,1H3.
What are the key properties of 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one?
1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one has a molecular weight of 359.26 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,3-dichloroanilino)-6-methylpyridin-2-one is sourced from PubChem (CID 18880307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).