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

C29H38Cl2N4O — CID 45279667

IUPAC5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride
SMILESCCn1c(-c2ccc(Cl)cc2)cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)c1C.Cl
InChIInChI=1S/C29H37ClN4O.ClH/c1-5-34-23(4)26(20-28(34)24-10-12-25(30)13-11-24)29(35)31-14-7-15-32-16-18-33(19-17-32)27-9-6-8-21(2)22(27)3;/h6,8-13,20H,5,7,14-19H2,1-4H3,(H,31,35);1H
InChIKeyGOKKWBKIGNJYKO-UHFFFAOYSA-N
MW529.56 g/mol
LogP6.12
Rot. Bonds8

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

5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride (PubChem CID 45279667) has the molecular formula C29H38Cl2N4O and a molecular weight of 529.56 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride
PubChem CID45279667
Molecular FormulaC29H38Cl2N4O
Molecular Weight529.56 g/mol
Exact Mass528.24
IUPAC Name5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride
SMILESCCn1c(-c2ccc(Cl)cc2)cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)c1C.Cl
InChIInChI=1S/C29H37ClN4O.ClH/c1-5-34-23(4)26(20-28(34)24-10-12-25(30)13-11-24)29(35)31-14-7-15-32-16-18-33(19-17-32)27-9-6-8-21(2)22(27)3;/h6,8-13,20H,5,7,14-19H2,1-4H3,(H,31,35);1H
InChIKeyGOKKWBKIGNJYKO-UHFFFAOYSA-N
XLogP6.12
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.56
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride (CID 45279667) is 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride is CCn1c(-c2ccc(Cl)cc2)cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)c1C.Cl.
What is the InChIKey of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is GOKKWBKIGNJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN4O.ClH/c1-5-34-23(4)26(20-28(34)24-10-12-25(30)13-11-24)29(35)31-14-7-15-32-16-18-33(19-17-32)27-9-6-8-21(2)22(27)3;/h6,8-13,20H,5,7,14-19H2,1-4H3,(H,31,35);1H.
What are the key properties of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride?
5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 529.56 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-ethyl-2-methylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 45279667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).