1-acetamido-3-(fluoroamino)urea

C3H7FN4O2 — CID 20655907

IUPAC1-acetamido-3-(fluoroamino)urea
SMILESCC(=O)NNC(=O)NNF
InChIInChI=1S/C3H7FN4O2/c1-2(9)5-6-3(10)7-8-4/h8H,1H3,(H,5,9)(H2,6,7,10)
InChIKeyONQWLJZRJGSHQA-UHFFFAOYSA-N
MW150.11 g/mol
LogP-1.27
Rot. Bonds1

About 1-acetamido-3-(fluoroamino)urea

1-acetamido-3-(fluoroamino)urea (PubChem CID 20655907) has the molecular formula C3H7FN4O2 and a molecular weight of 150.11 g/mol. Its IUPAC name is 1-acetamido-3-(fluoroamino)urea.

Molecular Properties

Compound Name1-acetamido-3-(fluoroamino)urea
PubChem CID20655907
Molecular FormulaC3H7FN4O2
Molecular Weight150.11 g/mol
Exact Mass150.06
IUPAC Name1-acetamido-3-(fluoroamino)urea
SMILESCC(=O)NNC(=O)NNF
InChIInChI=1S/C3H7FN4O2/c1-2(9)5-6-3(10)7-8-4/h8H,1H3,(H,5,9)(H2,6,7,10)
InChIKeyONQWLJZRJGSHQA-UHFFFAOYSA-N
XLogP-1.27
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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-acetamido-3-(fluoroamino)urea?
The IUPAC name of 1-acetamido-3-(fluoroamino)urea (CID 20655907) is 1-acetamido-3-(fluoroamino)urea.
What is the SMILES notation for 1-acetamido-3-(fluoroamino)urea?
The canonical SMILES for 1-acetamido-3-(fluoroamino)urea is CC(=O)NNC(=O)NNF.
What is the InChIKey of 1-acetamido-3-(fluoroamino)urea?
The InChIKey is ONQWLJZRJGSHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FN4O2/c1-2(9)5-6-3(10)7-8-4/h8H,1H3,(H,5,9)(H2,6,7,10).
What are the key properties of 1-acetamido-3-(fluoroamino)urea?
1-acetamido-3-(fluoroamino)urea has a molecular weight of 150.11 g/mol, XLogP of -1.27, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-(fluoroamino)urea is sourced from PubChem (CID 20655907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).