1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid

C15H15ClFN3O4 — CID 119259052

IUPAC1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cc(N2CCNC2=O)ccc1Cl)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H15ClFN3O4/c16-11-2-1-9(20-6-4-18-14(20)24)7-10(11)12(21)19-5-3-15(17,8-19)13(22)23/h1-2,7H,3-6,8H2,(H,18,24)(H,22,23)
InChIKeyQAIVBZRDNVDJIO-UHFFFAOYSA-N
MW355.75 g/mol
LogP1.51
Rot. Bonds3

About 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259052) has the molecular formula C15H15ClFN3O4 and a molecular weight of 355.75 g/mol. Its IUPAC name is 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259052
Molecular FormulaC15H15ClFN3O4
Molecular Weight355.75 g/mol
Exact Mass355.07
IUPAC Name1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cc(N2CCNC2=O)ccc1Cl)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H15ClFN3O4/c16-11-2-1-9(20-6-4-18-14(20)24)7-10(11)12(21)19-5-3-15(17,8-19)13(22)23/h1-2,7H,3-6,8H2,(H,18,24)(H,22,23)
InChIKeyQAIVBZRDNVDJIO-UHFFFAOYSA-N
XLogP1.51
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119259052) is 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid is O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is QAIVBZRDNVDJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O4/c16-11-2-1-9(20-6-4-18-14(20)24)7-10(11)12(21)19-5-3-15(17,8-19)13(22)23/h1-2,7H,3-6,8H2,(H,18,24)(H,22,23).
What are the key properties of 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 355.75 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).