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

C17H17F3N2O2 — CID 56765522

IUPAC1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)14-8-6-13(7-9-14)15(23)11-22-16(24)21-10-12-4-2-1-3-5-12/h1-9,15,23H,10-11H2,(H2,21,22,24)
InChIKeyWHAHXTASCSQIKE-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.24
Rot. Bonds5

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

1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 56765522) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID56765522
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)14-8-6-13(7-9-14)15(23)11-22-16(24)21-10-12-4-2-1-3-5-12/h1-9,15,23H,10-11H2,(H2,21,22,24)
InChIKeyWHAHXTASCSQIKE-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95368354
4-[[[2-(4-tert-butylphenyl)-2-hydroxyethyl]carbamoylamino]methyl]benzoic acid
CID 122021116
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
1-[2-(dimethylamino)-3-phenylpropyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78832463
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
1-(4-hydroxy-2-methylpentyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111454154
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea
CID 166200761
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 110895643
1-(2-hydroxy-3-methylpentyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111337894

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 56765522) is 1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea is O=C(NCc1ccccc1)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is WHAHXTASCSQIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)14-8-6-13(7-9-14)15(23)11-22-16(24)21-10-12-4-2-1-3-5-12/h1-9,15,23H,10-11H2,(H2,21,22,24).
What are the key properties of 1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 338.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 56765522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).