N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide

C11H12FN3O3 — CID 81310199

IUPACN-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1[N+](=O)[O-])C1CCCN1
InChIInChI=1S/C11H12FN3O3/c12-7-3-1-5-9(15(17)18)10(7)14-11(16)8-4-2-6-13-8/h1,3,5,8,13H,2,4,6H2,(H,14,16)
InChIKeyPYJAZSMHAXQMJS-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.42
Rot. Bonds3

About N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide

N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 81310199) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID81310199
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC NameN-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1[N+](=O)[O-])C1CCCN1
InChIInChI=1S/C11H12FN3O3/c12-7-3-1-5-9(15(17)18)10(7)14-11(16)8-4-2-6-13-8/h1,3,5,8,13H,2,4,6H2,(H,14,16)
InChIKeyPYJAZSMHAXQMJS-UHFFFAOYSA-N
XLogP1.42
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.42
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-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide
CID 81309920
(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 104913038
(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 104900585
N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83192750
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
(2S)-N-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxamide
CID 87823456
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280308
(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 121235183
(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
CID 104913764
N-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide (CID 81310199) is N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide is O=C(Nc1c(F)cccc1[N+](=O)[O-])C1CCCN1.
What is the InChIKey of N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is PYJAZSMHAXQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-7-3-1-5-9(15(17)18)10(7)14-11(16)8-4-2-6-13-8/h1,3,5,8,13H,2,4,6H2,(H,14,16).
What are the key properties of N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide?
N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 253.23 g/mol, XLogP of 1.42, 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)pyrrolidine-2-carboxamide is sourced from PubChem (CID 81310199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).