[2-(3-fluorophenyl)-2-methylpropyl]urea

C11H15FN2O — CID 115168840

IUPAC[2-(3-fluorophenyl)-2-methylpropyl]urea
SMILESCC(C)(CNC(N)=O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c1-11(2,7-14-10(13)15)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyHHVCLVAOHSUXGJ-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.77
Rot. Bonds3

About [2-(3-fluorophenyl)-2-methylpropyl]urea

[2-(3-fluorophenyl)-2-methylpropyl]urea (PubChem CID 115168840) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-methylpropyl]urea
PubChem CID115168840
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name[2-(3-fluorophenyl)-2-methylpropyl]urea
SMILESCC(C)(CNC(N)=O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c1-11(2,7-14-10(13)15)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyHHVCLVAOHSUXGJ-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098
N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159147
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120990280
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957543
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
2-amino-2-(2-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 166261259

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-methylpropyl]urea?
The IUPAC name of [2-(3-fluorophenyl)-2-methylpropyl]urea (CID 115168840) is [2-(3-fluorophenyl)-2-methylpropyl]urea.
What is the SMILES notation for [2-(3-fluorophenyl)-2-methylpropyl]urea?
The canonical SMILES for [2-(3-fluorophenyl)-2-methylpropyl]urea is CC(C)(CNC(N)=O)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-methylpropyl]urea?
The InChIKey is HHVCLVAOHSUXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-11(2,7-14-10(13)15)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H3,13,14,15).
What are the key properties of [2-(3-fluorophenyl)-2-methylpropyl]urea?
[2-(3-fluorophenyl)-2-methylpropyl]urea has a molecular weight of 210.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-methylpropyl]urea is sourced from PubChem (CID 115168840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).