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

C11H9Cl3N2O2 — CID 78981558

IUPAC5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CN1
InChIInChI=1S/C11H9Cl3N2O2/c12-6-2-8(14)9(3-7(6)13)16-11(18)5-1-10(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18)
InChIKeyGVHHWNMSIOIWSB-UHFFFAOYSA-N
MW307.56 g/mol
LogP2.72
Rot. Bonds2

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

5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 78981558) has the molecular formula C11H9Cl3N2O2 and a molecular weight of 307.56 g/mol. Its IUPAC name is 5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
PubChem CID78981558
Molecular FormulaC11H9Cl3N2O2
Molecular Weight307.56 g/mol
Exact Mass305.97
IUPAC Name5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CN1
InChIInChI=1S/C11H9Cl3N2O2/c12-6-2-8(14)9(3-7(6)13)16-11(18)5-1-10(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18)
InChIKeyGVHHWNMSIOIWSB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982206
N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78954339
5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
CID 83192640
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982076
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982696
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364
N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 107470607
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 102848007
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide (CID 78981558) is 5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CN1.
What is the InChIKey of 5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is GVHHWNMSIOIWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O2/c12-6-2-8(14)9(3-7(6)13)16-11(18)5-1-10(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18).
What are the key properties of 5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide?
5-oxo-N-(2,4,5-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-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78981558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).