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

C16H15F3N2O2 — CID 2812620

IUPAC1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)12-7-4-8-13(9-12)21-15(23)20-10-14(22)11-5-2-1-3-6-11/h1-9,14,22H,10H2,(H2,20,21,23)
InChIKeyNQFOQVQVGDWHMS-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.56
Rot. Bonds4

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

1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2812620) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2812620
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)12-7-4-8-13(9-12)21-15(23)20-10-14(22)11-5-2-1-3-6-11/h1-9,14,22H,10H2,(H2,20,21,23)
InChIKeyNQFOQVQVGDWHMS-UHFFFAOYSA-N
XLogP3.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90581736
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-(2-hydroxy-3-methylbutyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 115645016
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
4-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 28511821
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73168484
1-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90623654
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 2812620) is 1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCC(O)c1ccccc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is NQFOQVQVGDWHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)12-7-4-8-13(9-12)21-15(23)20-10-14(22)11-5-2-1-3-6-11/h1-9,14,22H,10H2,(H2,20,21,23).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 324.30 g/mol, XLogP of 3.56, 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-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2812620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).