1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea

C18H20F2N2O3 — CID 108891619

IUPAC1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)Nc2c(F)cccc2F)cc1OC
InChIInChI=1S/C18H20F2N2O3/c1-3-25-15-8-7-12(11-16(15)24-2)9-10-21-18(23)22-17-13(19)5-4-6-14(17)20/h4-8,11H,3,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyBAPHEGDIENXJFJ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.74
Rot. Bonds7

About 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea

1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea (PubChem CID 108891619) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
PubChem CID108891619
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)Nc2c(F)cccc2F)cc1OC
InChIInChI=1S/C18H20F2N2O3/c1-3-25-15-8-7-12(11-16(15)24-2)9-10-21-18(23)22-17-13(19)5-4-6-14(17)20/h4-8,11H,3,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyBAPHEGDIENXJFJ-UHFFFAOYSA-N
XLogP3.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
1-(2,5-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891763
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027882
1-(5-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891555
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea (CID 108891619) is 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea is CCOc1ccc(CCNC(=O)Nc2c(F)cccc2F)cc1OC.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
The InChIKey is BAPHEGDIENXJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c1-3-25-15-8-7-12(11-16(15)24-2)9-10-21-18(23)22-17-13(19)5-4-6-14(17)20/h4-8,11H,3,9-10H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea has a molecular weight of 350.37 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108891619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).