2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide

C15H11ClF2N2O4 — CID 78760052

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClF2N2O4/c1-8(24-14-5-2-9(17)6-11(14)16)15(21)19-10-3-4-12(18)13(7-10)20(22)23/h2-8H,1H3,(H,19,21)
InChIKeyNTQOUUAAVZGXOC-UHFFFAOYSA-N
MW356.71 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide

2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 78760052) has the molecular formula C15H11ClF2N2O4 and a molecular weight of 356.71 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID78760052
Molecular FormulaC15H11ClF2N2O4
Molecular Weight356.71 g/mol
Exact Mass356.04
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClF2N2O4/c1-8(24-14-5-2-9(17)6-11(14)16)15(21)19-10-3-4-12(18)13(7-10)20(22)23/h2-8H,1H3,(H,19,21)
InChIKeyNTQOUUAAVZGXOC-UHFFFAOYSA-N
XLogP3.93
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.71
LogP ≤ 53.93
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)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 1293039
2-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 3381118
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
CID 8956858
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 46627597
2-(2,4-dichlorophenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)propanamide
CID 43831138
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 7610324

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide (CID 78760052) is 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide is CC(Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is NTQOUUAAVZGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O4/c1-8(24-14-5-2-9(17)6-11(14)16)15(21)19-10-3-4-12(18)13(7-10)20(22)23/h2-8H,1H3,(H,19,21).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 356.71 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 78760052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).