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

C17H17F3N2O2 — CID 56765329

IUPAC1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)Cc1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)14-8-4-5-9-15(14)22-16(24)21-11-13(23)10-12-6-2-1-3-7-12/h1-9,13,23H,10-11H2,(H2,21,22,24)
InChIKeyUGRFFEBWVLMAPS-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.43
Rot. Bonds5

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

1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 56765329) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID56765329
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)Cc1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)14-8-4-5-9-15(14)22-16(24)21-11-13(23)10-12-6-2-1-3-7-12/h1-9,13,23H,10-11H2,(H2,21,22,24)
InChIKeyUGRFFEBWVLMAPS-UHFFFAOYSA-N
XLogP3.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
2-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65219510
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51102231
1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111103684
(2S)-2-hydroxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 107835137
1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71803918
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599
1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
CID 110937017

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 56765329) is 1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCC(O)Cc1ccccc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is UGRFFEBWVLMAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)14-8-4-5-9-15(14)22-16(24)21-11-13(23)10-12-6-2-1-3-7-12/h1-9,13,23H,10-11H2,(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 56765329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).