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

C25H28Cl2N4O — CID 58358858

IUPACN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1
InChIInChI=1S/C25H28Cl2N4O/c1-18-17-21(19(2)31(18)20-7-4-3-5-8-20)25(32)28-11-12-29-13-15-30(16-14-29)23-10-6-9-22(26)24(23)27/h3-10,17H,11-16H2,1-2H3,(H,28,32)
InChIKeyVVBLZVZEZSZXBR-UHFFFAOYSA-N
MW471.43 g/mol
LogP4.95
Rot. Bonds6

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

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 58358858) has the molecular formula C25H28Cl2N4O and a molecular weight of 471.43 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID58358858
Molecular FormulaC25H28Cl2N4O
Molecular Weight471.43 g/mol
Exact Mass470.16
IUPAC NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1
InChIInChI=1S/C25H28Cl2N4O/c1-18-17-21(19(2)31(18)20-7-4-3-5-8-20)25(32)28-11-12-29-13-15-30(16-14-29)23-10-6-9-22(26)24(23)27/h3-10,17H,11-16H2,1-2H3,(H,28,32)
InChIKeyVVBLZVZEZSZXBR-UHFFFAOYSA-N
XLogP4.95
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278886
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methyl-1-phenyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54576140
5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide
CID 45279763
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
CID 54576142
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride
CID 90665201
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide
CID 45278726
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-piperidin-1-ylpyrrole-3-carboxamide
CID 45278883
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide
CID 58358820
1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 55602871
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (CID 58358858) is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is VVBLZVZEZSZXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O/c1-18-17-21(19(2)31(18)20-7-4-3-5-8-20)25(32)28-11-12-29-13-15-30(16-14-29)23-10-6-9-22(26)24(23)27/h3-10,17H,11-16H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 471.43 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 58358858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).