N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide

C15H15Cl2N3O2 — CID 24817966

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccn1C
InChIInChI=1S/C15H15Cl2N3O2/c1-19-8-4-7-12(19)15(22)20(2)9-13(21)18-14-10(16)5-3-6-11(14)17/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyLZLJZDQHOAEGIR-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 24817966) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID24817966
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccn1C
InChIInChI=1S/C15H15Cl2N3O2/c1-19-8-4-7-12(19)15(22)20(2)9-13(21)18-14-10(16)5-3-6-11(14)17/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyLZLJZDQHOAEGIR-UHFFFAOYSA-N
XLogP3.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 25481584
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-methylsulfonylfuran-2-carboxamide
CID 86944126
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51146019
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 27807625
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26021542

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide (CID 24817966) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccn1C.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is LZLJZDQHOAEGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-19-8-4-7-12(19)15(22)20(2)9-13(21)18-14-10(16)5-3-6-11(14)17/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 24817966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).