2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide

C14H19FN2O4 — CID 79827324

IUPAC2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H19FN2O4/c1-9(2)6-7-16-14(18)10(3)21-11-4-5-13(17(19)20)12(15)8-11/h4-5,8-10H,6-7H2,1-3H3,(H,16,18)
InChIKeyVGMWWKOTSPVQFX-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.66
Rot. Bonds7

About 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide

2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide (PubChem CID 79827324) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide
PubChem CID79827324
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C14H19FN2O4/c1-9(2)6-7-16-14(18)10(3)21-11-4-5-13(17(19)20)12(15)8-11/h4-5,8-10H,6-7H2,1-3H3,(H,16,18)
InChIKeyVGMWWKOTSPVQFX-UHFFFAOYSA-N
XLogP2.66
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.66
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-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107675560
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
2-nitro-5-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid
CID 102739601
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
3-(3-fluoro-4-nitrophenoxy)butanoic acid
CID 115000279
2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 78977364
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
2-(3-chloro-4-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 79823310
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 107396677
2-methyl-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107671321
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide (CID 79827324) is 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide?
The InChIKey is VGMWWKOTSPVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-9(2)6-7-16-14(18)10(3)21-11-4-5-13(17(19)20)12(15)8-11/h4-5,8-10H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide?
2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide has a molecular weight of 298.31 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 79827324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).