N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide

C17H17FN2O5 — CID 78892551

IUPACN-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide
SMILESCCOc1cc(F)ccc1NC(=O)CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17FN2O5/c1-2-24-16-11-12(18)3-8-15(16)19-17(21)9-10-25-14-6-4-13(5-7-14)20(22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyZVBIXZGTWLYHJZ-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.54
Rot. Bonds8

About N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide

N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide (PubChem CID 78892551) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide
PubChem CID78892551
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide
SMILESCCOc1cc(F)ccc1NC(=O)CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17FN2O5/c1-2-24-16-11-12(18)3-8-15(16)19-17(21)9-10-25-14-6-4-13(5-7-14)20(22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyZVBIXZGTWLYHJZ-UHFFFAOYSA-N
XLogP3.54
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143
N-(2-ethoxy-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 87006146
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
CID 38701334
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide
CID 108807000
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 108802892
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 55906665
3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887
N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
CID 108795459

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide (CID 78892551) is N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide is CCOc1cc(F)ccc1NC(=O)CCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide?
The InChIKey is ZVBIXZGTWLYHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-2-24-16-11-12(18)3-8-15(16)19-17(21)9-10-25-14-6-4-13(5-7-14)20(22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide?
N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide has a molecular weight of 348.33 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 78892551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).