1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea

C15H13F3N2O2 — CID 111458987

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)c(F)c(F)c1)NC(CO)c1ccccc1
InChIInChI=1S/C15H13F3N2O2/c16-11-6-10(7-12(17)14(11)18)19-15(22)20-13(8-21)9-4-2-1-3-5-9/h1-7,13,21H,8H2,(H2,19,20,22)
InChIKeyBATOYYKTNUBYJY-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.96
Rot. Bonds4

About 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea

1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea (PubChem CID 111458987) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
PubChem CID111458987
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)c(F)c(F)c1)NC(CO)c1ccccc1
InChIInChI=1S/C15H13F3N2O2/c16-11-6-10(7-12(17)14(11)18)19-15(22)20-13(8-21)9-4-2-1-3-5-9/h1-7,13,21H,8H2,(H2,19,20,22)
InChIKeyBATOYYKTNUBYJY-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 72688028
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
CID 96562726

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea (CID 111458987) is 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea is O=C(Nc1cc(F)c(F)c(F)c1)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea?
The InChIKey is BATOYYKTNUBYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-11-6-10(7-12(17)14(11)18)19-15(22)20-13(8-21)9-4-2-1-3-5-9/h1-7,13,21H,8H2,(H2,19,20,22).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea has a molecular weight of 310.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea is sourced from PubChem (CID 111458987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).