(4-fluorophenyl)methylurea

C8H9FN2O — CID 2737289

IUPAC(4-fluorophenyl)methylurea
SMILESNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyISIFPVOJHJASJW-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.99
Rot. Bonds2

About (4-fluorophenyl)methylurea

(4-fluorophenyl)methylurea (PubChem CID 2737289) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is (4-fluorophenyl)methylurea.

Molecular Properties

Compound Name(4-fluorophenyl)methylurea
PubChem CID2737289
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name(4-fluorophenyl)methylurea
SMILESNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyISIFPVOJHJASJW-UHFFFAOYSA-N
XLogP0.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methylurea?
The IUPAC name of (4-fluorophenyl)methylurea (CID 2737289) is (4-fluorophenyl)methylurea.
What is the SMILES notation for (4-fluorophenyl)methylurea?
The canonical SMILES for (4-fluorophenyl)methylurea is NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methylurea?
The InChIKey is ISIFPVOJHJASJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12).
What are the key properties of (4-fluorophenyl)methylurea?
(4-fluorophenyl)methylurea has a molecular weight of 168.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methylurea is sourced from PubChem (CID 2737289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).