1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea

C16H15F3N2O2 — CID 90534946

IUPAC1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)Nc1ccccc1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)12-8-6-11(7-9-12)14(22)10-20-15(23)21-13-4-2-1-3-5-13/h1-9,14,22H,10H2,(H2,20,21,23)
InChIKeyAUPGTUUKSHSCLU-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.56
Rot. Bonds4

About 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea

1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea (PubChem CID 90534946) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
PubChem CID90534946
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)Nc1ccccc1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)12-8-6-11(7-9-12)14(22)10-20-15(23)21-13-4-2-1-3-5-13/h1-9,14,22H,10H2,(H2,20,21,23)
InChIKeyAUPGTUUKSHSCLU-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-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355
1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95986802
1-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90581736
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95368354
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea (CID 90534946) is 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)Nc1ccccc1.
What is the InChIKey of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea?
The InChIKey is AUPGTUUKSHSCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)12-8-6-11(7-9-12)14(22)10-20-15(23)21-13-4-2-1-3-5-13/h1-9,14,22H,10H2,(H2,20,21,23).
What are the key properties of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea?
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea 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-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea is sourced from PubChem (CID 90534946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).