1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea

C19H19F3N2O2 — CID 71788859

IUPAC1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)15-8-4-5-9-16(15)24-17(25)23-12-18(26,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,26H,10-12H2,(H2,23,24,25)
InChIKeyZCRBJAFUJSQFKN-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.12
Rot. Bonds5

About 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 71788859) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID71788859
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)15-8-4-5-9-16(15)24-17(25)23-12-18(26,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,26H,10-12H2,(H2,23,24,25)
InChIKeyZCRBJAFUJSQFKN-UHFFFAOYSA-N
XLogP4.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-{2-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-ethyl]-phenyl}-3-(2,5-difluoro-phenyl)-urea
CID 11134412
4-hydroxy-N-phenyl-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarboxamide
CID 6459805
1-(2-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-phenyl)-3-phenyl-urea
CID 10863252
3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
CID 162655156
4-(4-fluorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23071955
1-(2,6-Diisopropyl-phenyl)-3-(1-hydroxy-indan-1-ylmethyl)-urea
CID 14555243
1-(2,6-Diisopropyl-phenyl)-3-(1-hydroxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-urea
CID 14555244
US11078186, Example 71
CID 153313921
1-Methyl-3-phenyl-1-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]urea
CID 11689700
1-(4-Fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 2812618
1-(2-Hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenylurea
CID 11574404

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 71788859) is 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCC(O)(c1ccccc1)C1CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ZCRBJAFUJSQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)15-8-4-5-9-16(15)24-17(25)23-12-18(26,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,26H,10-12H2,(H2,23,24,25).
What are the key properties of 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 364.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71788859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).