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

C17H18F2N2O2 — CID 2955627

IUPAC1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(C(C)NC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O2/c1-3-23-14-7-4-12(5-8-14)11(2)20-17(22)21-16-9-6-13(18)10-15(16)19/h4-11H,3H2,1-2H3,(H2,20,21,22)
InChIKeyXRYNNBNMRLIYKU-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.25
Rot. Bonds5

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

1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea (PubChem CID 2955627) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea
PubChem CID2955627
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(C(C)NC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O2/c1-3-23-14-7-4-12(5-8-14)11(2)20-17(22)21-16-9-6-13(18)10-15(16)19/h4-11H,3H2,1-2H3,(H2,20,21,22)
InChIKeyXRYNNBNMRLIYKU-UHFFFAOYSA-N
XLogP4.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea (CID 2955627) is 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea is CCOc1ccc(C(C)NC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea?
The InChIKey is XRYNNBNMRLIYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-3-23-14-7-4-12(5-8-14)11(2)20-17(22)21-16-9-6-13(18)10-15(16)19/h4-11H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)ethyl]urea has a molecular weight of 320.34 g/mol, XLogP of 4.25, 5 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-(4-ethoxyphenyl)ethyl]urea is sourced from PubChem (CID 2955627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).