1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H11F2N3O2 — CID 168698300

IUPAC1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2c(N)cc(F)cc2F)C1
InChIInChI=1S/C11H11F2N3O2/c12-6-2-7(13)10(8(14)3-6)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4,14H2,(H2,15,18)
InChIKeyNZLGPPLINZXIJB-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.39
Rot. Bonds2

About 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698300) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698300
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2c(N)cc(F)cc2F)C1
InChIInChI=1S/C11H11F2N3O2/c12-6-2-7(13)10(8(14)3-6)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4,14H2,(H2,15,18)
InChIKeyNZLGPPLINZXIJB-UHFFFAOYSA-N
XLogP0.39
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4,6-difluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502733
1-(2,6-difluoro-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697600
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
1-(2-amino-4,6-difluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506053
5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168697665
1-(4-bromo-2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697641
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
1-(2,4-difluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691637
1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697899
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168698300) is 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2c(N)cc(F)cc2F)C1.
What is the InChIKey of 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NZLGPPLINZXIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-6-2-7(13)10(8(14)3-6)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4,14H2,(H2,15,18).
What are the key properties of 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 255.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).