1-benzyl-3-(4-fluoroanilino)urea

C14H14FN3O — CID 47127723

IUPAC1-benzyl-3-(4-fluoroanilino)urea
SMILESO=C(NCc1ccccc1)NNc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c15-12-6-8-13(9-7-12)17-18-14(19)16-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H2,16,18,19)
InChIKeyYRMOAPZZDUZIRR-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.65
Rot. Bonds4

About 1-benzyl-3-(4-fluoroanilino)urea

1-benzyl-3-(4-fluoroanilino)urea (PubChem CID 47127723) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluoroanilino)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-fluoroanilino)urea
PubChem CID47127723
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name1-benzyl-3-(4-fluoroanilino)urea
SMILESO=C(NCc1ccccc1)NNc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c15-12-6-8-13(9-7-12)17-18-14(19)16-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H2,16,18,19)
InChIKeyYRMOAPZZDUZIRR-UHFFFAOYSA-N
XLogP2.65
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(4-fluoroanilino)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 1-benzyl-3-(4-fluoroanilino)urea?
The IUPAC name of 1-benzyl-3-(4-fluoroanilino)urea (CID 47127723) is 1-benzyl-3-(4-fluoroanilino)urea.
What is the SMILES notation for 1-benzyl-3-(4-fluoroanilino)urea?
The canonical SMILES for 1-benzyl-3-(4-fluoroanilino)urea is O=C(NCc1ccccc1)NNc1ccc(F)cc1.
What is the InChIKey of 1-benzyl-3-(4-fluoroanilino)urea?
The InChIKey is YRMOAPZZDUZIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-6-8-13(9-7-12)17-18-14(19)16-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H2,16,18,19).
What are the key properties of 1-benzyl-3-(4-fluoroanilino)urea?
1-benzyl-3-(4-fluoroanilino)urea has a molecular weight of 259.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluoroanilino)urea is sourced from PubChem (CID 47127723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).