1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea

C13H16F2N2O3 — CID 156608000

IUPAC1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea
SMILESCCOC1COCC1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O3/c1-2-20-12-7-19-6-11(12)17-13(18)16-10-4-3-8(14)5-9(10)15/h3-5,11-12H,2,6-7H2,1H3,(H2,16,17,18)
InChIKeyIEGNIGJLNYSGIE-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.89
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea

1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea (PubChem CID 156608000) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea
PubChem CID156608000
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea
SMILESCCOC1COCC1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O3/c1-2-20-12-7-19-6-11(12)17-13(18)16-10-4-3-8(14)5-9(10)15/h3-5,11-12H,2,6-7H2,1H3,(H2,16,17,18)
InChIKeyIEGNIGJLNYSGIE-UHFFFAOYSA-N
XLogP1.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
N-(2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259805
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-3-[(3S,4R)-4-ethoxyoxolan-3-yl]urea
CID 118791172
1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564323
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 6928627
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
1-(2-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 62956599

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea (CID 156608000) is 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea is CCOC1COCC1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea?
The InChIKey is IEGNIGJLNYSGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-2-20-12-7-19-6-11(12)17-13(18)16-10-4-3-8(14)5-9(10)15/h3-5,11-12H,2,6-7H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea?
1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea has a molecular weight of 286.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea is sourced from PubChem (CID 156608000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).