5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid

C12H10F2N2O4 — CID 168697665

IUPAC5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
SMILESNC(=O)C1CC(=O)N(c2cc(C(=O)O)c(F)cc2F)C1
InChIInChI=1S/C12H10F2N2O4/c13-7-3-8(14)9(2-6(7)12(19)20)16-4-5(11(15)18)1-10(16)17/h2-3,5H,1,4H2,(H2,15,18)(H,19,20)
InChIKeyDDCWRTVICBPXKM-UHFFFAOYSA-N
MW284.22 g/mol
LogP0.50
Rot. Bonds3

About 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid

5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid (PubChem CID 168697665) has the molecular formula C12H10F2N2O4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid.

Molecular Properties

Compound Name5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
PubChem CID168697665
Molecular FormulaC12H10F2N2O4
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
SMILESNC(=O)C1CC(=O)N(c2cc(C(=O)O)c(F)cc2F)C1
InChIInChI=1S/C12H10F2N2O4/c13-7-3-8(14)9(2-6(7)12(19)20)16-4-5(11(15)18)1-10(16)17/h2-3,5H,1,4H2,(H2,15,18)(H,19,20)
InChIKeyDDCWRTVICBPXKM-UHFFFAOYSA-N
XLogP0.50
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168700498
2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703274
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,4-difluorobenzoic acid
CID 168660568
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718624
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,3-difluorobenzoic acid
CID 168698325
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-iodobenzoic acid
CID 168697968
methyl 1-(2,4-difluoro-5-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693295
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid?
The IUPAC name of 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid (CID 168697665) is 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid.
What is the SMILES notation for 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid?
The canonical SMILES for 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid is NC(=O)C1CC(=O)N(c2cc(C(=O)O)c(F)cc2F)C1.
What is the InChIKey of 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid?
The InChIKey is DDCWRTVICBPXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4/c13-7-3-8(14)9(2-6(7)12(19)20)16-4-5(11(15)18)1-10(16)17/h2-3,5H,1,4H2,(H2,15,18)(H,19,20).
What are the key properties of 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid?
5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid has a molecular weight of 284.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid is sourced from PubChem (CID 168697665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).