5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide

C11H9Cl3N2O2 — CID 83192640

IUPAC5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CN1
InChIInChI=1S/C11H9Cl3N2O2/c12-6-2-7(13)10(8(14)3-6)16-11(18)5-1-9(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18)
InChIKeyGWVTWOHBQOPCIC-UHFFFAOYSA-N
MW307.56 g/mol
LogP2.72
Rot. Bonds2

About 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide

5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 83192640) has the molecular formula C11H9Cl3N2O2 and a molecular weight of 307.56 g/mol. Its IUPAC name is 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
PubChem CID83192640
Molecular FormulaC11H9Cl3N2O2
Molecular Weight307.56 g/mol
Exact Mass305.97
IUPAC Name5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CN1
InChIInChI=1S/C11H9Cl3N2O2/c12-6-2-7(13)10(8(14)3-6)16-11(18)5-1-9(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18)
InChIKeyGWVTWOHBQOPCIC-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.56
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide (CID 83192640) is 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CN1.
What is the InChIKey of 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is GWVTWOHBQOPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O2/c12-6-2-7(13)10(8(14)3-6)16-11(18)5-1-9(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18).
What are the key properties of 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide?
5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 307.56 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 83192640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).