1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea

C17H23F3N2O2 — CID 75449821

IUPAC1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(Nc1ccccc1CC(F)(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)12-13-6-4-5-9-15(13)21-16(24)22(10-11-23)14-7-2-1-3-8-14/h4-6,9,14,23H,1-3,7-8,10-12H2,(H,21,24)
InChIKeyPDZQHYVKDFELOI-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.95
Rot. Bonds5

About 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea

1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea (PubChem CID 75449821) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
PubChem CID75449821
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
SMILESO=C(Nc1ccccc1CC(F)(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)12-13-6-4-5-9-15(13)21-16(24)22(10-11-23)14-7-2-1-3-8-14/h4-6,9,14,23H,1-3,7-8,10-12H2,(H,21,24)
InChIKeyPDZQHYVKDFELOI-UHFFFAOYSA-N
XLogP3.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110890631
1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115620424
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
CID 102874295
1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 98220666
N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide
CID 42699431
3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
CID 72932044
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475461
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-[2-(trifluoromethyl)phenyl]urea
CID 4597621

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea (CID 75449821) is 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea is O=C(Nc1ccccc1CC(F)(F)F)N(CCO)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
The InChIKey is PDZQHYVKDFELOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c18-17(19,20)12-13-6-4-5-9-15(13)21-16(24)22(10-11-23)14-7-2-1-3-8-14/h4-6,9,14,23H,1-3,7-8,10-12H2,(H,21,24).
What are the key properties of 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea?
1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea has a molecular weight of 344.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea is sourced from PubChem (CID 75449821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).