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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).