2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide

C20H18ClN3O2 — CID 13277467

IUPAC2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide
SMILESCc1cc(CC(=O)Nc2ccccn2)n(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-11-16(12-18(25)23-17-5-3-4-10-22-17)24(2)19(13)20(26)14-6-8-15(21)9-7-14/h3-11H,12H2,1-2H3,(H,22,23,25)
InChIKeyKIPNHYDOMIJAJO-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.79
Rot. Bonds5

About 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide

2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide (PubChem CID 13277467) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide
PubChem CID13277467
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide
SMILESCc1cc(CC(=O)Nc2ccccn2)n(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-11-16(12-18(25)23-17-5-3-4-10-22-17)24(2)19(13)20(26)14-6-8-15(21)9-7-14/h3-11H,12H2,1-2H3,(H,22,23,25)
InChIKeyKIPNHYDOMIJAJO-UHFFFAOYSA-N
XLogP3.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide 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

1-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-1,3-diphenylurea
CID 67611339
3-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-4,5-dimethyl-1H-pyridazin-6-one
CID 67724071
6-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-2-(2-chloroethyl)pyridazin-3-one
CID 67722309
N-butyl-2-[3-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-6-oxopyridazin-1-yl]acetamide
CID 67722272
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide
CID 67611102
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-2-ylacetamide
CID 2892737
N-[4-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]phenyl]-2-hydroxyethanesulfonamide
CID 70103781
4-[[(3R)-7-chloro-3-[(2-methylphenyl)methyl]-1,4-dioxo-3,5-dihydro-2-benzazepin-2-yl]methyl]-N-pyridin-2-ylbenzamide
CID 147712792
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide (CID 13277467) is 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide is Cc1cc(CC(=O)Nc2ccccn2)n(C)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide?
The InChIKey is KIPNHYDOMIJAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-11-16(12-18(25)23-17-5-3-4-10-22-17)24(2)19(13)20(26)14-6-8-15(21)9-7-14/h3-11H,12H2,1-2H3,(H,22,23,25).
What are the key properties of 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide?
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide has a molecular weight of 367.84 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 13277467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).