1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea

C15H18F4N2O — CID 69478072

IUPAC1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
SMILESCN(C(=O)Nc1cccc(C(F)(F)F)c1F)C1CCCCC1
InChIInChI=1S/C15H18F4N2O/c1-21(10-6-3-2-4-7-10)14(22)20-12-9-5-8-11(13(12)16)15(17,18)19/h5,8-10H,2-4,6-7H2,1H3,(H,20,22)
InChIKeyZQUOFGSEJDAJEW-UHFFFAOYSA-N
MW318.31 g/mol
LogP4.64
Rot. Bonds2

About 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea

1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea (PubChem CID 69478072) has the molecular formula C15H18F4N2O and a molecular weight of 318.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
PubChem CID69478072
Molecular FormulaC15H18F4N2O
Molecular Weight318.31 g/mol
Exact Mass318.14
IUPAC Name1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
SMILESCN(C(=O)Nc1cccc(C(F)(F)F)c1F)C1CCCCC1
InChIInChI=1S/C15H18F4N2O/c1-21(10-6-3-2-4-7-10)14(22)20-12-9-5-8-11(13(12)16)15(17,18)19/h5,8-10H,2-4,6-7H2,1H3,(H,20,22)
InChIKeyZQUOFGSEJDAJEW-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 113252164
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725
1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 66188265
1-(2-cyanoethyl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
CID 3779878
1-[(2S)-2,3-dihydroxypropyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
CID 97285673
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
CID 47034829
1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
CID 107172661
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea (CID 69478072) is 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea is CN(C(=O)Nc1cccc(C(F)(F)F)c1F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea?
The InChIKey is ZQUOFGSEJDAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O/c1-21(10-6-3-2-4-7-10)14(22)20-12-9-5-8-11(13(12)16)15(17,18)19/h5,8-10H,2-4,6-7H2,1H3,(H,20,22).
What are the key properties of 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea?
1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea has a molecular weight of 318.31 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea is sourced from PubChem (CID 69478072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).