N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide

C15H13Cl2N3O2 — CID 9418681

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1
InChIInChI=1S/C15H13Cl2N3O2/c1-20(15(22)13-4-2-3-7-18-13)9-14(21)19-10-5-6-11(16)12(17)8-10/h2-8H,9H2,1H3,(H,19,21)
InChIKeyRJDHKGYGFGVEQH-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide (PubChem CID 9418681) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
PubChem CID9418681
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1
InChIInChI=1S/C15H13Cl2N3O2/c1-20(15(22)13-4-2-3-7-18-13)9-14(21)19-10-5-6-11(16)12(17)8-10/h2-8H,9H2,1H3,(H,19,21)
InChIKeyRJDHKGYGFGVEQH-UHFFFAOYSA-N
XLogP3.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide (CID 9418681) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccn1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is RJDHKGYGFGVEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c1-20(15(22)13-4-2-3-7-18-13)9-14(21)19-10-5-6-11(16)12(17)8-10/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 338.19 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 9418681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).