[(4-fluorophenyl)methylamino]urea

C8H10FN3O — CID 146424762

IUPAC[(4-fluorophenyl)methylamino]urea
SMILESNC(=O)NNCc1ccc(F)cc1
InChIInChI=1S/C8H10FN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-4,11H,5H2,(H3,10,12,13)
InChIKeyXNPANXLFHMWULP-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.50
Rot. Bonds3

About [(4-fluorophenyl)methylamino]urea

[(4-fluorophenyl)methylamino]urea (PubChem CID 146424762) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is [(4-fluorophenyl)methylamino]urea.

Molecular Properties

Compound Name[(4-fluorophenyl)methylamino]urea
PubChem CID146424762
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name[(4-fluorophenyl)methylamino]urea
SMILESNC(=O)NNCc1ccc(F)cc1
InChIInChI=1S/C8H10FN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-4,11H,5H2,(H3,10,12,13)
InChIKeyXNPANXLFHMWULP-UHFFFAOYSA-N
XLogP0.50
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)methylamino]urea?
The IUPAC name of [(4-fluorophenyl)methylamino]urea (CID 146424762) is [(4-fluorophenyl)methylamino]urea.
What is the SMILES notation for [(4-fluorophenyl)methylamino]urea?
The canonical SMILES for [(4-fluorophenyl)methylamino]urea is NC(=O)NNCc1ccc(F)cc1.
What is the InChIKey of [(4-fluorophenyl)methylamino]urea?
The InChIKey is XNPANXLFHMWULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-4,11H,5H2,(H3,10,12,13).
What are the key properties of [(4-fluorophenyl)methylamino]urea?
[(4-fluorophenyl)methylamino]urea has a molecular weight of 183.19 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)methylamino]urea is sourced from PubChem (CID 146424762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).