2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide

C15H10F4N2O4 — CID 4842522

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F4N2O4/c1-7(25-12-6-8(16)2-5-11(12)21(23)24)15(22)20-10-4-3-9(17)13(18)14(10)19/h2-7H,1H3,(H,20,22)
InChIKeyLVVBXJPPKPGYAF-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.56
Rot. Bonds5

About 2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide

2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 4842522) has the molecular formula C15H10F4N2O4 and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID4842522
Molecular FormulaC15H10F4N2O4
Molecular Weight358.25 g/mol
Exact Mass358.06
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F4N2O4/c1-7(25-12-6-8(16)2-5-11(12)21(23)24)15(22)20-10-4-3-9(17)13(18)14(10)19/h2-7H,1H3,(H,20,22)
InChIKeyLVVBXJPPKPGYAF-UHFFFAOYSA-N
XLogP3.56
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631758
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 16958827
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 7438408
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
(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)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8873422
2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide (CID 4842522) is 2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide is CC(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is LVVBXJPPKPGYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O4/c1-7(25-12-6-8(16)2-5-11(12)21(23)24)15(22)20-10-4-3-9(17)13(18)14(10)19/h2-7H,1H3,(H,20,22).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 358.25 g/mol, XLogP of 3.56, 5 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-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 4842522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).