2-(2-fluoro-4-nitrophenoxy)propanamide

C9H9FN2O4 — CID 61034848

IUPAC2-(2-fluoro-4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1F)C(N)=O
InChIInChI=1S/C9H9FN2O4/c1-5(9(11)13)16-8-3-2-6(12(14)15)4-7(8)10/h2-5H,1H3,(H2,11,13)
InChIKeyRSZDHUDEYYHRAR-UHFFFAOYSA-N
MW228.18 g/mol
LogP0.99
Rot. Bonds4

About 2-(2-fluoro-4-nitrophenoxy)propanamide

2-(2-fluoro-4-nitrophenoxy)propanamide (PubChem CID 61034848) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenoxy)propanamide
PubChem CID61034848
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name2-(2-fluoro-4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1F)C(N)=O
InChIInChI=1S/C9H9FN2O4/c1-5(9(11)13)16-8-3-2-6(12(14)15)4-7(8)10/h2-5H,1H3,(H2,11,13)
InChIKeyRSZDHUDEYYHRAR-UHFFFAOYSA-N
XLogP0.99
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 50.99
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

2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrobenzoic acid
CID 43472842
(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide
CID 94535804
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254
2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide
CID 133330266
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229297
2-(2-fluoro-4-nitrophenyl)sulfanylpropanoic acid
CID 43123559
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
2-(4-cyano-2-nitrophenoxy)propanamide
CID 47449451
2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide
CID 82000895

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenoxy)propanamide?
The IUPAC name of 2-(2-fluoro-4-nitrophenoxy)propanamide (CID 61034848) is 2-(2-fluoro-4-nitrophenoxy)propanamide.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenoxy)propanamide?
The canonical SMILES for 2-(2-fluoro-4-nitrophenoxy)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1F)C(N)=O.
What is the InChIKey of 2-(2-fluoro-4-nitrophenoxy)propanamide?
The InChIKey is RSZDHUDEYYHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4/c1-5(9(11)13)16-8-3-2-6(12(14)15)4-7(8)10/h2-5H,1H3,(H2,11,13).
What are the key properties of 2-(2-fluoro-4-nitrophenoxy)propanamide?
2-(2-fluoro-4-nitrophenoxy)propanamide has a molecular weight of 228.18 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenoxy)propanamide is sourced from PubChem (CID 61034848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).