3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride

C14H20ClFN2O — CID 174490608

IUPAC3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
SMILESCN(C(=O)NC1CCCCC1)c1ccccc1F.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-17(13-10-6-5-9-12(13)15)14(18)16-11-7-3-2-4-8-11;/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18);1H
InChIKeyZLVCXYCAKSFRSL-UHFFFAOYSA-N
MW286.78 g/mol
LogP3.73
Rot. Bonds2

About 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride

3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride (PubChem CID 174490608) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
PubChem CID174490608
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
SMILESCN(C(=O)NC1CCCCC1)c1ccccc1F.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-17(13-10-6-5-9-12(13)15)14(18)16-11-7-3-2-4-8-11;/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18);1H
InChIKeyZLVCXYCAKSFRSL-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride?
The IUPAC name of 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride (CID 174490608) is 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride?
The canonical SMILES for 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride is CN(C(=O)NC1CCCCC1)c1ccccc1F.Cl.
What is the InChIKey of 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride?
The InChIKey is ZLVCXYCAKSFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-17(13-10-6-5-9-12(13)15)14(18)16-11-7-3-2-4-8-11;/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18);1H.
What are the key properties of 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride?
3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride is sourced from PubChem (CID 174490608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).