[(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea

C8H7ClFN3O — CID 103791901

IUPAC[(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(F)cc1Cl
InChIInChI=1S/C8H7ClFN3O/c9-7-3-6(10)2-1-5(7)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+
InChIKeyCXPMVQBUKPJYKN-UUILKARUSA-N
MW215.62 g/mol
LogP1.48
Rot. Bonds2

About [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea

[(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea (PubChem CID 103791901) has the molecular formula C8H7ClFN3O and a molecular weight of 215.62 g/mol. Its IUPAC name is [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea
PubChem CID103791901
Molecular FormulaC8H7ClFN3O
Molecular Weight215.62 g/mol
Exact Mass215.03
IUPAC Name[(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(F)cc1Cl
InChIInChI=1S/C8H7ClFN3O/c9-7-3-6(10)2-1-5(7)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+
InChIKeyCXPMVQBUKPJYKN-UUILKARUSA-N
XLogP1.48
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea?
The IUPAC name of [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea (CID 103791901) is [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea is NC(=O)N/N=C/c1ccc(F)cc1Cl.
What is the InChIKey of [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea?
The InChIKey is CXPMVQBUKPJYKN-UUILKARUSA-N. The full InChI is InChI=1S/C8H7ClFN3O/c9-7-3-6(10)2-1-5(7)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+.
What are the key properties of [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea?
[(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea has a molecular weight of 215.62 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-chloro-4-fluorophenyl)methylideneamino]urea is sourced from PubChem (CID 103791901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).