2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide

C13H17FN2O4 — CID 78913154

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17FN2O4/c1-8(2)7-15-13(17)9(3)20-12-6-10(14)4-5-11(12)16(18)19/h4-6,8-9H,7H2,1-3H3,(H,15,17)
InChIKeyNWZGKNMIYJFEKP-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.27
Rot. Bonds6

About 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide

2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 78913154) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
PubChem CID78913154
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17FN2O4/c1-8(2)7-15-13(17)9(3)20-12-6-10(14)4-5-11(12)16(18)19/h4-6,8-9H,7H2,1-3H3,(H,15,17)
InChIKeyNWZGKNMIYJFEKP-UHFFFAOYSA-N
XLogP2.27
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.27
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-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8873422
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
2-(5-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 62116591
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 16958827
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107014376
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 7438408
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide (CID 78913154) is 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is NWZGKNMIYJFEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-8(2)7-15-13(17)9(3)20-12-6-10(14)4-5-11(12)16(18)19/h4-6,8-9H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide?
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 284.29 g/mol, XLogP of 2.27, 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 78913154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).