[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea

C12H10FN3O2 — CID 779471

IUPAC[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)
InChIKeyQCCNCFRIOFHVMJ-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.09
Rot. Bonds3

About [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea

[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea (PubChem CID 779471) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea.

Molecular Properties

Compound Name[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea
PubChem CID779471
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)
InChIKeyQCCNCFRIOFHVMJ-UHFFFAOYSA-N
XLogP2.09
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea?
The IUPAC name of [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea (CID 779471) is [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea.
What is the SMILES notation for [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea?
The canonical SMILES for [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea is NC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea?
The InChIKey is QCCNCFRIOFHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17).
What are the key properties of [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea?
[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea has a molecular weight of 247.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(4-fluorophenyl)furan-2-yl]methylideneamino]urea is sourced from PubChem (CID 779471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).