2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid

C12H11ClFNO3 — CID 67360408

IUPAC2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C12H11ClFNO3/c13-10-5-7(14)1-2-8(10)9-3-4-15(12(9)18)6-11(16)17/h1-2,5,9H,3-4,6H2,(H,16,17)
InChIKeyGQORCCYNLVEXMY-UHFFFAOYSA-N
MW271.67 g/mol
LogP1.88
Rot. Bonds3

About 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid

2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid (PubChem CID 67360408) has the molecular formula C12H11ClFNO3 and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
PubChem CID67360408
Molecular FormulaC12H11ClFNO3
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C12H11ClFNO3/c13-10-5-7(14)1-2-8(10)9-3-4-15(12(9)18)6-11(16)17/h1-2,5,9H,3-4,6H2,(H,16,17)
InChIKeyGQORCCYNLVEXMY-UHFFFAOYSA-N
XLogP1.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid (CID 67360408) is 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid is O=C(O)CN1CCC(c2ccc(F)cc2Cl)C1=O.
What is the InChIKey of 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is GQORCCYNLVEXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO3/c13-10-5-7(14)1-2-8(10)9-3-4-15(12(9)18)6-11(16)17/h1-2,5,9H,3-4,6H2,(H,16,17).
What are the key properties of 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 271.67 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 67360408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).