[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea

C10H12FN3O2 — CID 137320304

IUPAC[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea
SMILESCOc1ccc(/C(C)=N\NC(N)=O)c(F)c1
InChIInChI=1S/C10H12FN3O2/c1-6(13-14-10(12)15)8-4-3-7(16-2)5-9(8)11/h3-5H,1-2H3,(H3,12,14,15)/b13-6-
InChIKeyNCYJQYFISKVESV-MLPAPPSSSA-N
MW225.22 g/mol
LogP1.23
Rot. Bonds3

About [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea

[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea (PubChem CID 137320304) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea
PubChem CID137320304
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea
SMILESCOc1ccc(/C(C)=N\NC(N)=O)c(F)c1
InChIInChI=1S/C10H12FN3O2/c1-6(13-14-10(12)15)8-4-3-7(16-2)5-9(8)11/h3-5H,1-2H3,(H3,12,14,15)/b13-6-
InChIKeyNCYJQYFISKVESV-MLPAPPSSSA-N
XLogP1.23
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine
CID 135075443
[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea
CID 121221771
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
ethyl N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]carbamate
CID 135758776
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
[(E)-[(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methylidene]amino]urea
CID 135589391

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea?
The IUPAC name of [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea (CID 137320304) is [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea?
The canonical SMILES for [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea is COc1ccc(/C(C)=N\NC(N)=O)c(F)c1.
What is the InChIKey of [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea?
The InChIKey is NCYJQYFISKVESV-MLPAPPSSSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-6(13-14-10(12)15)8-4-3-7(16-2)5-9(8)11/h3-5H,1-2H3,(H3,12,14,15)/b13-6-.
What are the key properties of [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea?
[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea has a molecular weight of 225.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea is sourced from PubChem (CID 137320304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).