N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine

C23H23Cl3N2 — CID 45267616

IUPACN-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine
SMILESCc1c(CNC2CCCC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl3N2/c1-15-16(14-27-19-4-2-3-5-19)12-23(21-11-8-18(25)13-22(21)26)28(15)20-9-6-17(24)7-10-20/h6-13,19,27H,2-5,14H2,1H3
InChIKeyOLISMADMBSPGGN-UHFFFAOYSA-N
MW433.81 g/mol
LogP7.45
Rot. Bonds5

About N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine

N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine (PubChem CID 45267616) has the molecular formula C23H23Cl3N2 and a molecular weight of 433.81 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine
PubChem CID45267616
Molecular FormulaC23H23Cl3N2
Molecular Weight433.81 g/mol
Exact Mass432.09
IUPAC NameN-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine
SMILESCc1c(CNC2CCCC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl3N2/c1-15-16(14-27-19-4-2-3-5-19)12-23(21-11-8-18(25)13-22(21)26)28(15)20-9-6-17(24)7-10-20/h6-13,19,27H,2-5,14H2,1H3
InChIKeyOLISMADMBSPGGN-UHFFFAOYSA-N
XLogP7.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine 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 N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine (CID 45267616) is N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine is Cc1c(CNC2CCCC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine?
The InChIKey is OLISMADMBSPGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N2/c1-15-16(14-27-19-4-2-3-5-19)12-23(21-11-8-18(25)13-22(21)26)28(15)20-9-6-17(24)7-10-20/h6-13,19,27H,2-5,14H2,1H3.
What are the key properties of N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine?
N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine has a molecular weight of 433.81 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45267616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).