2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide

C13H16FN3O3 — CID 7704785

IUPAC2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CO/N=C\c1cccc(F)c1
InChIInChI=1S/C13H16FN3O3/c1-2-6-15-13(19)17-12(18)9-20-16-8-10-4-3-5-11(14)7-10/h3-5,7-8H,2,6,9H2,1H3,(H2,15,17,18,19)/b16-8-
InChIKeyCRIPRHHTUPMJDH-PXNMLYILSA-N
MW281.29 g/mol
LogP1.41
Rot. Bonds6

About 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide

2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide (PubChem CID 7704785) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
PubChem CID7704785
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CO/N=C\c1cccc(F)c1
InChIInChI=1S/C13H16FN3O3/c1-2-6-15-13(19)17-12(18)9-20-16-8-10-4-3-5-11(14)7-10/h3-5,7-8H,2,6,9H2,1H3,(H2,15,17,18,19)/b16-8-
InChIKeyCRIPRHHTUPMJDH-PXNMLYILSA-N
XLogP1.41
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7699310
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704527
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7701446
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
N-[2-(4-chlorophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704591
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353
N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 9354539
N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704359
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704854
N-[4-(diethylsulfamoyl)phenyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704407
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide (CID 7704785) is 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CO/N=C\c1cccc(F)c1.
What is the InChIKey of 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide?
The InChIKey is CRIPRHHTUPMJDH-PXNMLYILSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-2-6-15-13(19)17-12(18)9-20-16-8-10-4-3-5-11(14)7-10/h3-5,7-8H,2,6,9H2,1H3,(H2,15,17,18,19)/b16-8-.
What are the key properties of 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide?
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide has a molecular weight of 281.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 7704785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).