1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C15H19F3N2O2 — CID 110933203

IUPAC1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)NC1CCCCC1O
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(22)20-12-3-1-2-4-13(12)21/h5-8,12-13,21H,1-4,9H2,(H2,19,20,22)
InChIKeyHOWLSXQKJFERKZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.81
Rot. Bonds3

About 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 110933203) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID110933203
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)NC1CCCCC1O
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(22)20-12-3-1-2-4-13(12)21/h5-8,12-13,21H,1-4,9H2,(H2,19,20,22)
InChIKeyHOWLSXQKJFERKZ-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
N-(2-hydroxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62366302
1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
CID 111109596
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111504256
1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 104954569
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
1-(2-hydroxycyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110933206
N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide
CID 23850180
1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110894292
1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 47133576
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 110933203) is 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)cc1)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is HOWLSXQKJFERKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(22)20-12-3-1-2-4-13(12)21/h5-8,12-13,21H,1-4,9H2,(H2,19,20,22).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 316.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 110933203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).