1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea

C22H20F3N3O2 — CID 75526416

IUPAC1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N(Cc1ccccc1)CC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-11-5-4-10-17(18)19(29)15-28(14-16-8-2-1-3-9-16)21(30)27-20-12-6-7-13-26-20/h1-13,19,29H,14-15H2,(H,26,27,30)
InChIKeyDXJKRJYXZIRFNG-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.87
Rot. Bonds6

About 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea

1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea (PubChem CID 75526416) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea
PubChem CID75526416
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N(Cc1ccccc1)CC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)18-11-5-4-10-17(18)19(29)15-28(14-16-8-2-1-3-9-16)21(30)27-20-12-6-7-13-26-20/h1-13,19,29H,14-15H2,(H,26,27,30)
InChIKeyDXJKRJYXZIRFNG-UHFFFAOYSA-N
XLogP4.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
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(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94190174
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 95618106
1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812654
1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea
CID 94657175
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CID 94810445
1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 60554553
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
4-hydroxy-1-(3-methyl-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butan-1-one
CID 162572626
1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
CID 108814077
1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea
CID 47267033

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea (CID 75526416) is 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)N(Cc1ccccc1)CC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea?
The InChIKey is DXJKRJYXZIRFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)18-11-5-4-10-17(18)19(29)15-28(14-16-8-2-1-3-9-16)21(30)27-20-12-6-7-13-26-20/h1-13,19,29H,14-15H2,(H,26,27,30).
What are the key properties of 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea?
1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea has a molecular weight of 415.42 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 75526416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).