N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide

C17H17FN2O4 — CID 16958827

IUPACN-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESCCc1ccc(NC(=O)C(C)Oc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17FN2O4/c1-3-12-4-7-14(8-5-12)19-17(21)11(2)24-16-10-13(18)6-9-15(16)20(22)23/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyPQLUMECXPOAJHI-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.70
Rot. Bonds6

About N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide

N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide (PubChem CID 16958827) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
PubChem CID16958827
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESCCc1ccc(NC(=O)C(C)Oc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17FN2O4/c1-3-12-4-7-14(8-5-12)19-17(21)11(2)24-16-10-13(18)6-9-15(16)20(22)23/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyPQLUMECXPOAJHI-UHFFFAOYSA-N
XLogP3.70
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.70
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

(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438440
(2S)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438438
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 7438408
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8873422
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 7788780
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide (CID 16958827) is N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide is CCc1ccc(NC(=O)C(C)Oc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
The InChIKey is PQLUMECXPOAJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-3-12-4-7-14(8-5-12)19-17(21)11(2)24-16-10-13(18)6-9-15(16)20(22)23/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide?
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide has a molecular weight of 332.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide is sourced from PubChem (CID 16958827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).