1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea

C13H16F2N2O3 — CID 107268642

IUPAC1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
SMILESCC1OCCC1(O)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O3/c1-8-13(19,4-5-20-8)7-16-12(18)17-11-3-2-9(14)6-10(11)15/h2-3,6,8,19H,4-5,7H2,1H3,(H2,16,17,18)
InChIKeyFLFYMEUMFXJVDG-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.63
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea

1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea (PubChem CID 107268642) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
PubChem CID107268642
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
SMILESCC1OCCC1(O)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O3/c1-8-13(19,4-5-20-8)7-16-12(18)17-11-3-2-9(14)6-10(11)15/h2-3,6,8,19H,4-5,7H2,1H3,(H2,16,17,18)
InChIKeyFLFYMEUMFXJVDG-UHFFFAOYSA-N
XLogP1.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301456
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106100964
1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450080
1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea
CID 61298666
2,4,6-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271538
2-(2,4-dichlorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301999
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82719452

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea (CID 107268642) is 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea is CC1OCCC1(O)CNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea?
The InChIKey is FLFYMEUMFXJVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-8-13(19,4-5-20-8)7-16-12(18)17-11-3-2-9(14)6-10(11)15/h2-3,6,8,19H,4-5,7H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea?
1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea has a molecular weight of 286.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea is sourced from PubChem (CID 107268642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).