1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide

C11H12FN3O3 — CID 62663626

IUPAC1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H12FN3O3/c12-7-3-1-4-8(10(7)15(17)18)14-6-2-5-9(14)11(13)16/h1,3-4,9H,2,5-6H2,(H2,13,16)
InChIKeyHYFUMOYZUDJOSC-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.19
Rot. Bonds3

About 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide

1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 62663626) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID62663626
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H12FN3O3/c12-7-3-1-4-8(10(7)15(17)18)14-6-2-5-9(14)11(13)16/h1,3-4,9H,2,5-6H2,(H2,13,16)
InChIKeyHYFUMOYZUDJOSC-UHFFFAOYSA-N
XLogP1.19
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
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

ethyl 1-(3-fluoro-2-nitrophenyl)piperidine-2-carboxylate
CID 115539392
1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 114065236
1-(2-carbamothioyl-3-fluorophenyl)piperidine-2-carboxamide
CID 79513346
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
1-(4-formyl-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 43083187
1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43121111
1-(3,5-difluoro-2-nitrophenyl)piperazine-2-carboxamide
CID 115509763
2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]acetamide
CID 47389784
4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
CID 133278337
1-(4-carbamothioyl-2,3-difluorophenyl)pyrrolidine-2-carboxamide
CID 107934486
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide (CID 62663626) is 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is HYFUMOYZUDJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-7-3-1-4-8(10(7)15(17)18)14-6-2-5-9(14)11(13)16/h1,3-4,9H,2,5-6H2,(H2,13,16).
What are the key properties of 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide?
1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 253.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 62663626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).