1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H9ClFNO3 — CID 107363789

IUPAC1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H9ClFNO3/c12-7-2-8(13)4-9(3-7)14-5-6(11(16)17)1-10(14)15/h2-4,6H,1,5H2,(H,16,17)
InChIKeyUJCATWWIQZDDQN-UHFFFAOYSA-N
MW257.65 g/mol
LogP1.92
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 107363789) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID107363789
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC Name1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H9ClFNO3/c12-7-2-8(13)4-9(3-7)14-5-6(11(16)17)1-10(14)15/h2-4,6H,1,5H2,(H,16,17)
InChIKeyUJCATWWIQZDDQN-UHFFFAOYSA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 217785
1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2912652
1-(3-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2804434
5-Oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 2737107
1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid
CID 2985727
N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 5305509
1-(2-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2889673
1-(2-Fluorophenyl)pyrrolidine-3-carboxylic acid
CID 71076496
1-(3,4-Difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2969325
1-(3,4-Dichlorophenyl)pyrrolidine-3-carboxylic acid
CID 83734455
1-(2,5-Dichlorophenyl)pyrrolidine-3-carboxylic acid
CID 83734457
Methyl 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 2969493

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 107363789) is 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is UJCATWWIQZDDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c12-7-2-8(13)4-9(3-7)14-5-6(11(16)17)1-10(14)15/h2-4,6H,1,5H2,(H,16,17).
What are the key properties of 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 257.65 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107363789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).