1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea

C13H16F2N2O2 — CID 2956632

IUPAC1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(F)cc1F)C1CCCO1
InChIInChI=1S/C13H16F2N2O2/c1-8(12-3-2-6-19-12)16-13(18)17-11-5-4-9(14)7-10(11)15/h4-5,7-8,12H,2-3,6H2,1H3,(H2,16,17,18)
InChIKeyNJSPXYXFHJVPAI-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.65
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea

1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 2956632) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID2956632
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(F)cc1F)C1CCCO1
InChIInChI=1S/C13H16F2N2O2/c1-8(12-3-2-6-19-12)16-13(18)17-11-5-4-9(14)7-10(11)15/h4-5,7-8,12H,2-3,6H2,1H3,(H2,16,17,18)
InChIKeyNJSPXYXFHJVPAI-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2867709
CID 2867709
CID 2207559
CID 2207559
CID 2956585
CID 2956585
CID 6465713
CID 6465713
CID 6467040
CID 6467040
CID 3262622
CID 3262622
CID 3138274
CID 3138274
CID 2787273
CID 2787273
CID 2957113
CID 2957113
CID 2916846
CID 2916846
CID 3070409
CID 3070409
CID 2206192
CID 2206192

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea (CID 2956632) is 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)Nc1ccc(F)cc1F)C1CCCO1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is NJSPXYXFHJVPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-8(12-3-2-6-19-12)16-13(18)17-11-5-4-9(14)7-10(11)15/h4-5,7-8,12H,2-3,6H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 270.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 2956632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).