2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

C14H15ClFNO4 — CID 114866524

IUPAC2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNO4/c1-21-5-4-17-12(18)7-10(14(19)20)13(17)9-3-2-8(15)6-11(9)16/h2-3,6,10,13H,4-5,7H2,1H3,(H,19,20)
InChIKeyOHWBSTMCFARZBU-UHFFFAOYSA-N
MW315.73 g/mol
LogP2.10
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 114866524) has the molecular formula C14H15ClFNO4 and a molecular weight of 315.73 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID114866524
Molecular FormulaC14H15ClFNO4
Molecular Weight315.73 g/mol
Exact Mass315.07
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNO4/c1-21-5-4-17-12(18)7-10(14(19)20)13(17)9-3-2-8(15)6-11(9)16/h2-3,6,10,13H,4-5,7H2,1H3,(H,19,20)
InChIKeyOHWBSTMCFARZBU-UHFFFAOYSA-N
XLogP2.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 114866524) is 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid is COCCN1C(=O)CC(C(=O)O)C1c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OHWBSTMCFARZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO4/c1-21-5-4-17-12(18)7-10(14(19)20)13(17)9-3-2-8(15)6-11(9)16/h2-3,6,10,13H,4-5,7H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 315.73 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114866524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).