N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide

C11H12FN3O4 — CID 43708447

IUPACN-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CC(O)CN1
InChIInChI=1S/C11H12FN3O4/c12-8-2-1-6(3-10(8)15(18)19)14-11(17)9-4-7(16)5-13-9/h1-3,7,9,13,16H,4-5H2,(H,14,17)
InChIKeyLQCIPMYXLFIOKC-UHFFFAOYSA-N
MW269.23 g/mol
LogP0.40
Rot. Bonds3

About N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide

N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43708447) has the molecular formula C11H12FN3O4 and a molecular weight of 269.23 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43708447
Molecular FormulaC11H12FN3O4
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC NameN-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CC(O)CN1
InChIInChI=1S/C11H12FN3O4/c12-8-2-1-6(3-10(8)15(18)19)14-11(17)9-4-7(16)5-13-9/h1-3,7,9,13,16H,4-5H2,(H,14,17)
InChIKeyLQCIPMYXLFIOKC-UHFFFAOYSA-N
XLogP0.40
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450781
3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide
CID 66010185
N-(2,4-dimethyl-5-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 104757751
N-(2,5-dimethyl-4-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103145458
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide
CID 61250261
(1S,2S,4S)-N-(4-fluoro-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7065620
(1R,2R,4S)-N-(4-fluoro-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 737724
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide
CID 107437353

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide (CID 43708447) is N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CC(O)CN1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LQCIPMYXLFIOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4/c12-8-2-1-6(3-10(8)15(18)19)14-11(17)9-4-7(16)5-13-9/h1-3,7,9,13,16H,4-5H2,(H,14,17).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide?
N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43708447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).