1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

C17H17F3N2O2 — CID 111119324

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1ccccc1C(O)CNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-11-6-2-3-7-12(11)15(23)10-21-16(24)22-14-9-5-4-8-13(14)17(18,19)20/h2-9,15,23H,10H2,1H3,(H2,21,22,24)
InChIKeyCKNHRTFTQUPUBC-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 111119324) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID111119324
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1ccccc1C(O)CNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-11-6-2-3-7-12(11)15(23)10-21-16(24)22-14-9-5-4-8-13(14)17(18,19)20/h2-9,15,23H,10H2,1H3,(H2,21,22,24)
InChIKeyCKNHRTFTQUPUBC-UHFFFAOYSA-N
XLogP3.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71810588
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
CID 111120539
1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71803918
1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765329
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51102231
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-(3-amino-5-methylphenyl)-3-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167819700
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
2-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65219510
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95266924
(2R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 96530841
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
CID 111430906

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 111119324) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is Cc1ccccc1C(O)CNC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is CKNHRTFTQUPUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11-6-2-3-7-12(11)15(23)10-21-16(24)22-14-9-5-4-8-13(14)17(18,19)20/h2-9,15,23H,10H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 111119324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).