N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide

C23H23Cl2FN2O3 — CID 89480039

IUPACN-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC1C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C23H23Cl2FN2O3/c1-14-20(22(30)27-11-2-3-16-6-9-18(24)19(25)13-16)21(29)23(31)28(14)12-10-15-4-7-17(26)8-5-15/h4-9,13-14,29H,2-3,10-12H2,1H3,(H,27,30)
InChIKeyJBDLBGFGXDNYBR-UHFFFAOYSA-N
MW465.35 g/mol
LogP4.47
Rot. Bonds8

About N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide

N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89480039) has the molecular formula C23H23Cl2FN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89480039
Molecular FormulaC23H23Cl2FN2O3
Molecular Weight465.35 g/mol
Exact Mass464.11
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC1C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C23H23Cl2FN2O3/c1-14-20(22(30)27-11-2-3-16-6-9-18(24)19(25)13-16)21(29)23(31)28(14)12-10-15-4-7-17(26)8-5-15/h4-9,13-14,29H,2-3,10-12H2,1H3,(H,27,30)
InChIKeyJBDLBGFGXDNYBR-UHFFFAOYSA-N
XLogP4.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide 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-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 89480039) is N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide is CC1C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCc1ccc(F)cc1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is JBDLBGFGXDNYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN2O3/c1-14-20(22(30)27-11-2-3-16-6-9-18(24)19(25)13-16)21(29)23(31)28(14)12-10-15-4-7-17(26)8-5-15/h4-9,13-14,29H,2-3,10-12H2,1H3,(H,27,30).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 465.35 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89480039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).