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

C22H21Cl3N2O3 — CID 89489384

IUPAC1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1
InChIInChI=1S/C22H21Cl3N2O3/c23-17-6-2-1-5-15(17)9-11-27-13-16(20(28)22(27)30)21(29)26-10-3-4-14-7-8-18(24)19(25)12-14/h1-2,5-8,12,28H,3-4,9-11,13H2,(H,26,29)
InChIKeyVFRWQYWGMQHDKE-UHFFFAOYSA-N
MW467.78 g/mol
LogP4.59
Rot. Bonds8

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

1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489384) has the molecular formula C22H21Cl3N2O3 and a molecular weight of 467.78 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489384
Molecular FormulaC22H21Cl3N2O3
Molecular Weight467.78 g/mol
Exact Mass466.06
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1
InChIInChI=1S/C22H21Cl3N2O3/c23-17-6-2-1-5-15(17)9-11-27-13-16(20(28)22(27)30)21(29)26-10-3-4-14-7-8-18(24)19(25)12-14/h1-2,5-8,12,28H,3-4,9-11,13H2,(H,26,29)
InChIKeyVFRWQYWGMQHDKE-UHFFFAOYSA-N
XLogP4.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.78
LogP ≤ 54.59
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 1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (CID 89489384) is 1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is O=C(NCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is VFRWQYWGMQHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3N2O3/c23-17-6-2-1-5-15(17)9-11-27-13-16(20(28)22(27)30)21(29)26-10-3-4-14-7-8-18(24)19(25)12-14/h1-2,5-8,12,28H,3-4,9-11,13H2,(H,26,29).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 467.78 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).