1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea

C17H18F2N2O2 — CID 112971994

IUPAC1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
SMILESCCc1cccc(OCCNC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H18F2N2O2/c1-2-12-5-3-6-13(11-12)23-10-9-20-17(22)21-16-14(18)7-4-8-15(16)19/h3-8,11H,2,9-10H2,1H3,(H2,20,21,22)
InChIKeyBMDMBLHYDLYBFG-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.73
Rot. Bonds6

About 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea

1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea (PubChem CID 112971994) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
PubChem CID112971994
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
SMILESCCc1cccc(OCCNC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H18F2N2O2/c1-2-12-5-3-6-13(11-12)23-10-9-20-17(22)21-16-14(18)7-4-8-15(16)19/h3-8,11H,2,9-10H2,1H3,(H2,20,21,22)
InChIKeyBMDMBLHYDLYBFG-UHFFFAOYSA-N
XLogP3.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
CID 112971923
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-(2,6-difluorophenyl)urea
CID 112977247
1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971952
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
1-(3-cyanophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971990
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112971837
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea (CID 112971994) is 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea is CCc1cccc(OCCNC(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea?
The InChIKey is BMDMBLHYDLYBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-2-12-5-3-6-13(11-12)23-10-9-20-17(22)21-16-14(18)7-4-8-15(16)19/h3-8,11H,2,9-10H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea?
1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea has a molecular weight of 320.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea is sourced from PubChem (CID 112971994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).