1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea

C12H15FN2O2 — CID 113322039

IUPAC1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
SMILESCc1c(F)cccc1NC(=O)NC1CCOC1
InChIInChI=1S/C12H15FN2O2/c1-8-10(13)3-2-4-11(8)15-12(16)14-9-5-6-17-7-9/h2-4,9H,5-7H2,1H3,(H2,14,15,16)
InChIKeyJSGLJGBZFLGQBB-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.04
Rot. Bonds2

About 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea

1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea (PubChem CID 113322039) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
PubChem CID113322039
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
SMILESCc1c(F)cccc1NC(=O)NC1CCOC1
InChIInChI=1S/C12H15FN2O2/c1-8-10(13)3-2-4-11(8)15-12(16)14-9-5-6-17-7-9/h2-4,9H,5-7H2,1H3,(H2,14,15,16)
InChIKeyJSGLJGBZFLGQBB-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 113321934
1-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
CID 115759515
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
CID 103515626
2-fluoro-4-(oxolan-3-ylcarbamoylamino)benzoic acid
CID 107793067
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
CID 111976449
1-(2,5-dimethyl-4-nitrophenyl)-3-(oxolan-3-yl)urea
CID 103145299
1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860101
2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
CID 110148336
N-(2-fluorophenyl)oxolan-3-amine
CID 63332099

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea (CID 113322039) is 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea is Cc1c(F)cccc1NC(=O)NC1CCOC1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea?
The InChIKey is JSGLJGBZFLGQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8-10(13)3-2-4-11(8)15-12(16)14-9-5-6-17-7-9/h2-4,9H,5-7H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea?
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea has a molecular weight of 238.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 113322039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).