5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide

C25H27Cl3N4O — CID 45279763

About 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide

5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide (PubChem CID 45279763) has the molecular formula C25H27Cl3N4O and a molecular weight of 505.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide
• PubChem CID: 45279763
• Molecular Formula: C25H27Cl3N4O
• Molecular Weight: 505.88 g/mol
• Exact Mass: 504.13
• IUPAC Name: 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide
• SMILES: Cc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccc(Cl)cc2)n1C
• InChI: InChI=1S/C25H27Cl3N4O/c1-17-20(16-23(30(17)2)18-6-8-19(26)9-7-18)25(33)29-10-11-31-12-14-32(15-13-31)22-5-3-4-21(27)24(22)28/h3-9,16H,10-15H2,1-2H3,(H,29,33)
• InChIKey: PIWNHOMMNOJYDE-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 40.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.88
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide (CID 45279763) is 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide is Cc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccc(Cl)cc2)n1C.

What is the InChIKey of 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide?

The InChIKey is PIWNHOMMNOJYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl3N4O/c1-17-20(16-23(30(17)2)18-6-8-19(26)9-7-18)25(33)29-10-11-31-12-14-32(15-13-31)22-5-3-4-21(27)24(22)28/h3-9,16H,10-15H2,1-2H3,(H,29,33).

What are the key properties of 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide?

5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide has a molecular weight of 505.88 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 45279763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).