N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide

C16H13F2N3O4 — CID 16960640

IUPACN-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide
SMILESCC(O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O4/c1-10(16(22)20-15-6-5-12(17)8-14(15)18)25-19-9-11-3-2-4-13(7-11)21(23)24/h2-10H,1H3,(H,20,22)/b19-9+
InChIKeyPXZCYBHNVRGFQO-DJKKODMXSA-N
MW349.29 g/mol
LogP3.25
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide

N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide (PubChem CID 16960640) has the molecular formula C16H13F2N3O4 and a molecular weight of 349.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide
PubChem CID16960640
Molecular FormulaC16H13F2N3O4
Molecular Weight349.29 g/mol
Exact Mass349.09
IUPAC NameN-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide
SMILESCC(O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O4/c1-10(16(22)20-15-6-5-12(17)8-14(15)18)25-19-9-11-3-2-4-13(7-11)21(23)24/h2-10H,1H3,(H,20,22)/b19-9+
InChIKeyPXZCYBHNVRGFQO-DJKKODMXSA-N
XLogP3.25
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704558
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 8760379
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
CID 8956858
(Z)-1-(3-fluorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9354689
N-(4-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
CID 7919493
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
CID 8956661
(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704553
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55870389
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate
CID 8732071
N-(2,4-difluorophenyl)-1-(3-nitrophenyl)methanimine
CID 122707231
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(3-iodophenyl)propanamide
CID 55871164
(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide
CID 7919078

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide (CID 16960640) is N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide is CC(O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide?
The InChIKey is PXZCYBHNVRGFQO-DJKKODMXSA-N. The full InChI is InChI=1S/C16H13F2N3O4/c1-10(16(22)20-15-6-5-12(17)8-14(15)18)25-19-9-11-3-2-4-13(7-11)21(23)24/h2-10H,1H3,(H,20,22)/b19-9+.
What are the key properties of N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide?
N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide has a molecular weight of 349.29 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 16960640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).