1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea

C7H6FN5O3 — CID 138739370

IUPAC1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea
SMILES[H]/N=N/N(C(N)=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6FN5O3/c8-5-2-1-4(3-6(5)13(15)16)12(11-10)7(9)14/h1-3,10H,(H2,9,14)/b11-10+
InChIKeyPRVIVNJFLXOTDV-ZHACJKMWSA-N
MW227.16 g/mol
LogP1.56
Rot. Bonds3

About 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea

1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea (PubChem CID 138739370) has the molecular formula C7H6FN5O3 and a molecular weight of 227.16 g/mol. Its IUPAC name is 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea.

Molecular Properties

Compound Name1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea
PubChem CID138739370
Molecular FormulaC7H6FN5O3
Molecular Weight227.16 g/mol
Exact Mass227.05
IUPAC Name1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea
SMILES[H]/N=N/N(C(N)=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6FN5O3/c8-5-2-1-4(3-6(5)13(15)16)12(11-10)7(9)14/h1-3,10H,(H2,9,14)/b11-10+
InChIKeyPRVIVNJFLXOTDV-ZHACJKMWSA-N
XLogP1.56
TPSA125.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea?
The IUPAC name of 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea (CID 138739370) is 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea.
What is the SMILES notation for 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea?
The canonical SMILES for 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea is [H]/N=N/N(C(N)=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea?
The InChIKey is PRVIVNJFLXOTDV-ZHACJKMWSA-N. The full InChI is InChI=1S/C7H6FN5O3/c8-5-2-1-4(3-6(5)13(15)16)12(11-10)7(9)14/h1-3,10H,(H2,9,14)/b11-10+.
What are the key properties of 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea?
1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea has a molecular weight of 227.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenyl-1-(4-fluoro-3-nitrophenyl)urea is sourced from PubChem (CID 138739370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).