N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C11H10FN3O4 — CID 83192750

IUPACN-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2c(F)cccc2[N+](=O)[O-])CN1
InChIInChI=1S/C11H10FN3O4/c12-7-2-1-3-8(15(18)19)10(7)14-11(17)6-4-9(16)13-5-6/h1-3,6H,4-5H2,(H,13,16)(H,14,17)
InChIKeyKZNXQSPXQFCJEO-UHFFFAOYSA-N
MW267.22 g/mol
LogP0.81
Rot. Bonds3

About N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 83192750) has the molecular formula C11H10FN3O4 and a molecular weight of 267.22 g/mol. Its IUPAC name is N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID83192750
Molecular FormulaC11H10FN3O4
Molecular Weight267.22 g/mol
Exact Mass267.07
IUPAC NameN-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2c(F)cccc2[N+](=O)[O-])CN1
InChIInChI=1S/C11H10FN3O4/c12-7-2-1-3-8(15(18)19)10(7)14-11(17)6-4-9(16)13-5-6/h1-3,6H,4-5H2,(H,13,16)(H,14,17)
InChIKeyKZNXQSPXQFCJEO-UHFFFAOYSA-N
XLogP0.81
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364
N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide
CID 81310199
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341
N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981663
N-(3-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191745
N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide
CID 81309920
N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191905
N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide
CID 81311080
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 81311222
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 83192750) is N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2c(F)cccc2[N+](=O)[O-])CN1.
What is the InChIKey of N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KZNXQSPXQFCJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4/c12-7-2-1-3-8(15(18)19)10(7)14-11(17)6-4-9(16)13-5-6/h1-3,6H,4-5H2,(H,13,16)(H,14,17).
What are the key properties of N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 267.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 83192750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).