1-(2-fluorophenyl)-3-(2-methylpropyl)urea

C11H15FN2O — CID 2992314

IUPAC1-(2-fluorophenyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccccc1F
InChIInChI=1S/C11H15FN2O/c1-8(2)7-13-11(15)14-10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyBZLCTLUOEACLGK-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.60
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(2-methylpropyl)urea

1-(2-fluorophenyl)-3-(2-methylpropyl)urea (PubChem CID 2992314) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-methylpropyl)urea
PubChem CID2992314
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-(2-fluorophenyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccccc1F
InChIInChI=1S/C11H15FN2O/c1-8(2)7-13-11(15)14-10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyBZLCTLUOEACLGK-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-methylpropyl)urea (CID 2992314) is 1-(2-fluorophenyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-methylpropyl)urea?
The InChIKey is BZLCTLUOEACLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8(2)7-13-11(15)14-10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-fluorophenyl)-3-(2-methylpropyl)urea?
1-(2-fluorophenyl)-3-(2-methylpropyl)urea has a molecular weight of 210.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 2992314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).