N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride

C25H29Cl3N4O — CID 46880354

IUPACN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1[nH]c(-c2ccccc2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C25H28Cl2N4O.ClH/c1-18-20(17-22(29-18)19-7-3-2-4-8-19)25(32)28-11-6-12-30-13-15-31(16-14-30)23-10-5-9-21(26)24(23)27;/h2-5,7-10,17,29H,6,11-16H2,1H3,(H,28,32);1H
InChIKeyYQSKSSRFQHJKLX-UHFFFAOYSA-N
MW507.89 g/mol
LogP5.66
Rot. Bonds7

About N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 46880354) has the molecular formula C25H29Cl3N4O and a molecular weight of 507.89 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID46880354
Molecular FormulaC25H29Cl3N4O
Molecular Weight507.89 g/mol
Exact Mass506.14
IUPAC NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1[nH]c(-c2ccccc2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C25H28Cl2N4O.ClH/c1-18-20(17-22(29-18)19-7-3-2-4-8-19)25(32)28-11-6-12-30-13-15-31(16-14-30)23-10-5-9-21(26)24(23)27;/h2-5,7-10,17,29H,6,11-16H2,1H3,(H,28,32);1H
InChIKeyYQSKSSRFQHJKLX-UHFFFAOYSA-N
XLogP5.66
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.89
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 46880354) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride is Cc1[nH]c(-c2ccccc2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl.
What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is YQSKSSRFQHJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O.ClH/c1-18-20(17-22(29-18)19-7-3-2-4-8-19)25(32)28-11-6-12-30-13-15-31(16-14-30)23-10-5-9-21(26)24(23)27;/h2-5,7-10,17,29H,6,11-16H2,1H3,(H,28,32);1H.
What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride?
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 507.89 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 46880354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).