N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride

C28H35Cl3N4O2 — CID 45279569

About N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride (PubChem CID 45279569) has the molecular formula C28H35Cl3N4O2 and a molecular weight of 565.97 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride
• PubChem CID: 45279569
• Molecular Formula: C28H35Cl3N4O2
• Molecular Weight: 565.97 g/mol
• Exact Mass: 564.18
• IUPAC Name: N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride
• SMILES: CCn1c(-c2ccc(OC)cc2)cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl
• InChI: InChI=1S/C28H34Cl2N4O2.ClH/c1-4-34-20(2)23(19-26(34)21-9-11-22(36-3)12-10-21)28(35)31-13-6-14-32-15-17-33(18-16-32)25-8-5-7-24(29)27(25)30;/h5,7-12,19H,4,6,13-18H2,1-3H3,(H,31,35);1H
• InChIKey: VBXAKDYSDAYGDF-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 49.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.97
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride?

The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride (CID 45279569) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride.

What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride?

The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride is CCn1c(-c2ccc(OC)cc2)cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl.

What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride?

The InChIKey is VBXAKDYSDAYGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34Cl2N4O2.ClH/c1-4-34-20(2)23(19-26(34)21-9-11-22(36-3)12-10-21)28(35)31-13-6-14-32-15-17-33(18-16-32)25-8-5-7-24(29)27(25)30;/h5,7-12,19H,4,6,13-18H2,1-3H3,(H,31,35);1H.

What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride?

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 565.97 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 45279569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).