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

C23H22Cl2F2N2O3 — CID 89489448

IUPACN-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C23H22Cl2F2N2O3/c24-17-6-4-14(11-18(17)25)3-1-2-9-28-22(31)16-13-29(23(32)21(16)30)10-8-15-5-7-19(26)20(27)12-15/h4-7,11-12,30H,1-3,8-10,13H2,(H,28,31)
InChIKeyFVACGBYIQAHCKU-UHFFFAOYSA-N
MW483.34 g/mol
LogP4.61
Rot. Bonds9

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

N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489448) has the molecular formula C23H22Cl2F2N2O3 and a molecular weight of 483.34 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489448
Molecular FormulaC23H22Cl2F2N2O3
Molecular Weight483.34 g/mol
Exact Mass482.10
IUPAC NameN-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C23H22Cl2F2N2O3/c24-17-6-4-14(11-18(17)25)3-1-2-9-28-22(31)16-13-29(23(32)21(16)30)10-8-15-5-7-19(26)20(27)12-15/h4-7,11-12,30H,1-3,8-10,13H2,(H,28,31)
InChIKeyFVACGBYIQAHCKU-UHFFFAOYSA-N
XLogP4.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.34
LogP ≤ 54.61
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-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (CID 89489448) is N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)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)c(F)c2)C1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is FVACGBYIQAHCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2F2N2O3/c24-17-6-4-14(11-18(17)25)3-1-2-9-28-22(31)16-13-29(23(32)21(16)30)10-8-15-5-7-19(26)20(27)12-15/h4-7,11-12,30H,1-3,8-10,13H2,(H,28,31).
What are the key properties of N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
N-[4-(3,4-dichlorophenyl)butyl]-1-[2-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 483.34 g/mol, XLogP of 4.61, 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-(3,4-difluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).