[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone

C17H15FN2O3 — CID 47019414

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-14-7-3-12(4-8-14)16-2-1-11-19(16)17(21)13-5-9-15(10-6-13)20(22)23/h3-10,16H,1-2,11H2
InChIKeyXJSBKYNMUFDBGV-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.71
Rot. Bonds3

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone (PubChem CID 47019414) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
PubChem CID47019414
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-14-7-3-12(4-8-14)16-2-1-11-19(16)17(21)13-5-9-15(10-6-13)20(22)23/h3-10,16H,1-2,11H2
InChIKeyXJSBKYNMUFDBGV-UHFFFAOYSA-N
XLogP3.71
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(4-nitrophenyl) (2S)-2-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 176905756
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 3597746
[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 70754050
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
N-ethyl-4-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 32626765
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 94617936
(2R)-N-[3-[(4-fluorobenzoyl)amino]propyl]-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide
CID 46104267
[2-(aminomethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 81482483
5-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70770514

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone (CID 47019414) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone?
The InChIKey is XJSBKYNMUFDBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-14-7-3-12(4-8-14)16-2-1-11-19(16)17(21)13-5-9-15(10-6-13)20(22)23/h3-10,16H,1-2,11H2.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone has a molecular weight of 314.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 47019414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).