[N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea

C9H11FN4O — CID 23343753

IUPAC[N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea
SMILESC/N=C(\NC(N)=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H11FN4O/c1-12-9(14-8(11)15)13-7-4-2-6(10)3-5-7/h2-5H,1H3,(H4,11,12,13,14,15)
InChIKeyDBTSLIBOHIHYMM-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.89
Rot. Bonds1

About [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea

[N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea (PubChem CID 23343753) has the molecular formula C9H11FN4O and a molecular weight of 210.21 g/mol. Its IUPAC name is [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea.

Molecular Properties

Compound Name[N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea
PubChem CID23343753
Molecular FormulaC9H11FN4O
Molecular Weight210.21 g/mol
Exact Mass210.09
IUPAC Name[N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea
SMILESC/N=C(\NC(N)=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H11FN4O/c1-12-9(14-8(11)15)13-7-4-2-6(10)3-5-7/h2-5H,1H3,(H4,11,12,13,14,15)
InChIKeyDBTSLIBOHIHYMM-UHFFFAOYSA-N
XLogP0.89
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea?
The IUPAC name of [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea (CID 23343753) is [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea.
What is the SMILES notation for [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea?
The canonical SMILES for [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea is C/N=C(\NC(N)=O)Nc1ccc(F)cc1.
What is the InChIKey of [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea?
The InChIKey is DBTSLIBOHIHYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O/c1-12-9(14-8(11)15)13-7-4-2-6(10)3-5-7/h2-5H,1H3,(H4,11,12,13,14,15).
What are the key properties of [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea?
[N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea has a molecular weight of 210.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N-(4-fluorophenyl)-N'-methylcarbamimidoyl]urea is sourced from PubChem (CID 23343753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).