1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea

C12H15FN2O — CID 104721687

IUPAC1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
SMILESCc1cccc(F)c1NC(=O)NC1CCC1
InChIInChI=1S/C12H15FN2O/c1-8-4-2-7-10(13)11(8)15-12(16)14-9-5-3-6-9/h2,4,7,9H,3,5-6H2,1H3,(H2,14,15,16)
InChIKeyXPJJEXIDDAMCHL-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.81
Rot. Bonds2

About 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea

1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea (PubChem CID 104721687) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
PubChem CID104721687
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
SMILESCc1cccc(F)c1NC(=O)NC1CCC1
InChIInChI=1S/C12H15FN2O/c1-8-4-2-7-10(13)11(8)15-12(16)14-9-5-3-6-9/h2,4,7,9H,3,5-6H2,1H3,(H2,14,15,16)
InChIKeyXPJJEXIDDAMCHL-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
CID 124886303
1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea
CID 116510369
1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea
CID 113252784
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea
CID 67522114
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
3-fluoro-2-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 81498841
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea
CID 59168591
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea (CID 104721687) is 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea is Cc1cccc(F)c1NC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea?
The InChIKey is XPJJEXIDDAMCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-4-2-7-10(13)11(8)15-12(16)14-9-5-3-6-9/h2,4,7,9H,3,5-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea?
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea has a molecular weight of 222.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea is sourced from PubChem (CID 104721687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).