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

C17H17F3N2O2 — CID 56765330

IUPAC1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)Cc1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)13-7-4-8-14(10-13)22-16(24)21-11-15(23)9-12-5-2-1-3-6-12/h1-8,10,15,23H,9,11H2,(H2,21,22,24)
InChIKeySPYIRHBZRBDLIR-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.43
Rot. Bonds5

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

1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 56765330) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID56765330
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)Cc1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)13-7-4-8-14(10-13)22-16(24)21-11-15(23)9-12-5-2-1-3-6-12/h1-8,10,15,23H,9,11H2,(H2,21,22,24)
InChIKeySPYIRHBZRBDLIR-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 56765330) is 1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCC(O)Cc1ccccc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is SPYIRHBZRBDLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)13-7-4-8-14(10-13)22-16(24)21-11-15(23)9-12-5-2-1-3-6-12/h1-8,10,15,23H,9,11H2,(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-3-phenylpropyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-hydroxy-3-phenylpropyl)-3-[3-(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-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 56765330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).