N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

C16H14FN3O4 — CID 5393376

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14FN3O4/c1-11-6-7-15(14(8-11)20(22)23)24-10-16(21)19-18-9-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,19,21)/b18-9-
InChIKeyUGUDILHHOFLFGC-NVMNQCDNSA-N
MW331.30 g/mol
LogP2.57
Rot. Bonds6

About N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 5393376) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID5393376
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14FN3O4/c1-11-6-7-15(14(8-11)20(22)23)24-10-16(21)19-18-9-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,19,21)/b18-9-
InChIKeyUGUDILHHOFLFGC-NVMNQCDNSA-N
XLogP2.57
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.57
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

(Z)-N'-(4-hydroxy-3-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135779768
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135439703
methyl (2E)-2-{2-[(4-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6866533
methyl (2E)-2-{2-[(2-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6867106
N'-[(E)-(3-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
CID 5338204
2-(4-Methylphenoxy)-N'-[(E)-[5-nitro-2-(piperidin-1-YL)phenyl]methylidene]acetohydrazide
CID 9595662
4-(4-methylphenoxy)-3-nitrobenzenecarbaldehyde O-methyloxime
CID 9629862
N'-[(Z)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135521420
2-{4-ethyl-2-nitrophenoxy}-N'-(2-furylmethylene)acetohydrazide
CID 5401094
N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135401376
N'-[(1Z)-(4-hydroxy-3-nitrophenyl)methylene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135472784
N'-(4-Nitrobenzylidene)-2-phenoxyacetohydrazide
CID 9556570

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 5393376) is N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C\c2ccccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is UGUDILHHOFLFGC-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-11-6-7-15(14(8-11)20(22)23)24-10-16(21)19-18-9-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,19,21)/b18-9-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 331.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 5393376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).