2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C15H18FN3O5 — CID 4796802

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NCCCN1CCCC1=O
InChIInChI=1S/C15H18FN3O5/c16-11-4-5-12(19(22)23)13(9-11)24-10-14(20)17-6-2-8-18-7-1-3-15(18)21/h4-5,9H,1-3,6-8,10H2,(H,17,20)
InChIKeyKQJJPMHDUXHSQF-UHFFFAOYSA-N
MW339.32 g/mol
LogP1.24
Rot. Bonds8

About 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 4796802) has the molecular formula C15H18FN3O5 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID4796802
Molecular FormulaC15H18FN3O5
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NCCCN1CCCC1=O
InChIInChI=1S/C15H18FN3O5/c16-11-4-5-12(19(22)23)13(9-11)24-10-14(20)17-6-2-8-18-7-1-3-15(18)21/h4-5,9H,1-3,6-8,10H2,(H,17,20)
InChIKeyKQJJPMHDUXHSQF-UHFFFAOYSA-N
XLogP1.24
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
1-[2-(4-Methoxy-2-nitrophenoxy)acetyl]pyrrolidin-2-one
CID 7473408
1-[2-(2-Nitrophenoxy)ethyl]pyrrolidine
CID 868463
1-(2-(4-Nitrophenoxy)acetyl)pyrrolidin-2-one
CID 482237
N-Isobutyl-2-(2-nitrophenoxy)acetamide
CID 2500401
2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2567489
[2-(Cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2570272
(S)-2-(4-nitrophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 44581741
N-[(1-benzylpiperidin-4-yl)methyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 168286726

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 4796802) is 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])NCCCN1CCCC1=O.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is KQJJPMHDUXHSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O5/c16-11-4-5-12(19(22)23)13(9-11)24-10-14(20)17-6-2-8-18-7-1-3-15(18)21/h4-5,9H,1-3,6-8,10H2,(H,17,20).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 339.32 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 4796802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).