2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide

C12H13FN2O4 — CID 78913287

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H13FN2O4/c1-3-6-14-12(16)8(2)19-11-7-9(13)4-5-10(11)15(17)18/h3-5,7-8H,1,6H2,2H3,(H,14,16)
InChIKeyWJORWCFQBBVPHS-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.80
Rot. Bonds6

About 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide

2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide (PubChem CID 78913287) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
PubChem CID78913287
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H13FN2O4/c1-3-6-14-12(16)8(2)19-11-7-9(13)4-5-10(11)15(17)18/h3-5,7-8H,1,6H2,2H3,(H,14,16)
InChIKeyWJORWCFQBBVPHS-UHFFFAOYSA-N
XLogP1.80
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 9205576
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8873422
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 16958827
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82915467
(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438440
(2S)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438438
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 7438408

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide (CID 78913287) is 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide?
The InChIKey is WJORWCFQBBVPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-3-6-14-12(16)8(2)19-11-7-9(13)4-5-10(11)15(17)18/h3-5,7-8H,1,6H2,2H3,(H,14,16).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide?
2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide has a molecular weight of 268.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 78913287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).