1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

C15H21F3N2O3 — CID 111509604

IUPAC1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(C)C(C)(O)CNC(=O)NCc1c(F)cccc1OC(F)F
InChIInChI=1S/C15H21F3N2O3/c1-9(2)15(3,22)8-20-14(21)19-7-10-11(16)5-4-6-12(10)23-13(17)18/h4-6,9,13,22H,7-8H2,1-3H3,(H2,19,20,21)
InChIKeyGPNUAULTMCUFHM-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.63
Rot. Bonds7

About 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111509604) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111509604
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(C)C(C)(O)CNC(=O)NCc1c(F)cccc1OC(F)F
InChIInChI=1S/C15H21F3N2O3/c1-9(2)15(3,22)8-20-14(21)19-7-10-11(16)5-4-6-12(10)23-13(17)18/h4-6,9,13,22H,7-8H2,1-3H3,(H2,19,20,21)
InChIKeyGPNUAULTMCUFHM-UHFFFAOYSA-N
XLogP2.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(3-hydroxypropyl)urea
CID 111509592
1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111508685
1-(2-hydroxy-2,3-dimethylbutyl)-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
CID 111508975
3-[2-(difluoromethoxy)phenyl]-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 111486475
(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306061
1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111120935
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540945
1-butan-2-yl-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylguanidine;hydroiodide
CID 111545326
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71985912
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide
CID 71985921
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111498118
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1H-pyrazole-5-carboxamide
CID 71985919

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111509604) is 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is CC(C)C(C)(O)CNC(=O)NCc1c(F)cccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is GPNUAULTMCUFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-9(2)15(3,22)8-20-14(21)19-7-10-11(16)5-4-6-12(10)23-13(17)18/h4-6,9,13,22H,7-8H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea has a molecular weight of 334.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111509604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).