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

C23H23Cl2FN2O3 — CID 89489447

IUPACN-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C23H23Cl2FN2O3/c24-19-9-6-16(13-20(19)25)3-1-2-11-27-22(30)18-14-28(23(31)21(18)29)12-10-15-4-7-17(26)8-5-15/h4-9,13,29H,1-3,10-12,14H2,(H,27,30)
InChIKeyGMUQTSVCCQSLFM-UHFFFAOYSA-N
MW465.35 g/mol
LogP4.47
Rot. Bonds9

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

N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489447) has the molecular formula C23H23Cl2FN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489447
Molecular FormulaC23H23Cl2FN2O3
Molecular Weight465.35 g/mol
Exact Mass464.11
IUPAC NameN-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C23H23Cl2FN2O3/c24-19-9-6-16(13-20(19)25)3-1-2-11-27-22(30)18-14-28(23(31)21(18)29)12-10-15-4-7-17(26)8-5-15/h4-9,13,29H,1-3,10-12,14H2,(H,27,30)
InChIKeyGMUQTSVCCQSLFM-UHFFFAOYSA-N
XLogP4.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (CID 89489447) is N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is O=C(NCCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is GMUQTSVCCQSLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN2O3/c24-19-9-6-16(13-20(19)25)3-1-2-11-27-22(30)18-14-28(23(31)21(18)29)12-10-15-4-7-17(26)8-5-15/h4-9,13,29H,1-3,10-12,14H2,(H,27,30).
What are the key properties of N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 465.35 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).