4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide

C16H15Cl2N3O3 — CID 9089491

IUPAC4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H15Cl2N3O3/c1-9(22)10-6-13(19-7-10)16(24)21(2)8-14(23)20-15-11(17)4-3-5-12(15)18/h3-7,19H,8H2,1-2H3,(H,20,23)
InChIKeyOYAQVIBJTHSINH-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.23
Rot. Bonds5

About 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 9089491) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID9089491
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H15Cl2N3O3/c1-9(22)10-6-13(19-7-10)16(24)21(2)8-14(23)20-15-11(17)4-3-5-12(15)18/h3-7,19H,8H2,1-2H3,(H,20,23)
InChIKeyOYAQVIBJTHSINH-UHFFFAOYSA-N
XLogP3.23
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-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]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
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-3-nitrobenzamide
CID 7942128
3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 24688082
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 9087892
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 24817966
3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 55630794

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 9089491) is 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is OYAQVIBJTHSINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-9(22)10-6-13(19-7-10)16(24)21(2)8-14(23)20-15-11(17)4-3-5-12(15)18/h3-7,19H,8H2,1-2H3,(H,20,23).
What are the key properties of 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 368.22 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9089491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).