2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide

C13H15FN2O5 — CID 4788373

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NCC1CCCO1
InChIInChI=1S/C13H15FN2O5/c14-9-3-4-11(16(18)19)12(6-9)21-8-13(17)15-7-10-2-1-5-20-10/h3-4,6,10H,1-2,5,7-8H2,(H,15,17)
InChIKeyJVZWPOIFADMGNZ-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.41
Rot. Bonds6

About 2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide

2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4788373) has the molecular formula C13H15FN2O5 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4788373
Molecular FormulaC13H15FN2O5
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])NCC1CCCO1
InChIInChI=1S/C13H15FN2O5/c14-9-3-4-11(16(18)19)12(6-9)21-8-13(17)15-7-10-2-1-5-20-10/h3-4,6,10H,1-2,5,7-8H2,(H,15,17)
InChIKeyJVZWPOIFADMGNZ-UHFFFAOYSA-N
XLogP1.41
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
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

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-nitrophenoxy)acetamide
CID 16322266
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
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2551604
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2563567
1-[2-(5-Fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one
CID 2572376
2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2971296

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide (CID 4788373) is 2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])NCC1CCCO1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JVZWPOIFADMGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5/c14-9-3-4-11(16(18)19)12(6-9)21-8-13(17)15-7-10-2-1-5-20-10/h3-4,6,10H,1-2,5,7-8H2,(H,15,17).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 298.27 g/mol, XLogP of 1.41, 6 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4788373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).