1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea

C12H12FN3O — CID 113268765

IUPAC1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea
SMILESN#Cc1ccc(NC(=O)NC2CCC2)c(F)c1
InChIInChI=1S/C12H12FN3O/c13-10-6-8(7-14)4-5-11(10)16-12(17)15-9-2-1-3-9/h4-6,9H,1-3H2,(H2,15,16,17)
InChIKeyCINJCENRODKUOJ-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.37
Rot. Bonds2

About 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea

1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea (PubChem CID 113268765) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea
PubChem CID113268765
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea
SMILESN#Cc1ccc(NC(=O)NC2CCC2)c(F)c1
InChIInChI=1S/C12H12FN3O/c13-10-6-8(7-14)4-5-11(10)16-12(17)15-9-2-1-3-9/h4-6,9H,1-3H2,(H2,15,16,17)
InChIKeyCINJCENRODKUOJ-UHFFFAOYSA-N
XLogP2.37
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-cyclopropylurea
CID 62698555
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
CID 1379880
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
1-[(4-cyano-2-fluorophenyl)methyl]-3-cyclohexylurea
CID 63359347
1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea
CID 66661134
4-[(3-cyclopropylcyclohexyl)amino]-3-fluorobenzonitrile
CID 79033558
4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
CID 78916011
1-(4-cyano-2-ethylphenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 154900996
4-(1-cyclobutylethylamino)-3-fluorobenzonitrile
CID 115766674
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea (CID 113268765) is 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea is N#Cc1ccc(NC(=O)NC2CCC2)c(F)c1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea?
The InChIKey is CINJCENRODKUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-6-8(7-14)4-5-11(10)16-12(17)15-9-2-1-3-9/h4-6,9H,1-3H2,(H2,15,16,17).
What are the key properties of 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea?
1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea has a molecular weight of 233.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea is sourced from PubChem (CID 113268765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).