1-(2-chloro-4-methylphenyl)-3-cyclobutylurea

C12H15ClN2O — CID 115617867

IUPAC1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
SMILESCc1ccc(NC(=O)NC2CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-8-5-6-11(10(13)7-8)15-12(16)14-9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H2,14,15,16)
InChIKeyUVSUIAYJAONOEI-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.32
Rot. Bonds2

About 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea

1-(2-chloro-4-methylphenyl)-3-cyclobutylurea (PubChem CID 115617867) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
PubChem CID115617867
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
SMILESCc1ccc(NC(=O)NC2CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-8-5-6-11(10(13)7-8)15-12(16)14-9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H2,14,15,16)
InChIKeyUVSUIAYJAONOEI-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea
CID 128753184
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
2-[[3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073682
1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472842

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea (CID 115617867) is 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea is Cc1ccc(NC(=O)NC2CCC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea?
The InChIKey is UVSUIAYJAONOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8-5-6-11(10(13)7-8)15-12(16)14-9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea?
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea has a molecular weight of 238.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-cyclobutylurea is sourced from PubChem (CID 115617867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).