1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea

C15H14F2N2O2 — CID 108992038

IUPAC1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O2/c1-2-21-13-9-4-3-8-12(13)18-15(20)19-14-10(16)6-5-7-11(14)17/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyXJMHVCKZGYZDKE-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.01
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea

1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea (PubChem CID 108992038) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
PubChem CID108992038
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O2/c1-2-21-13-9-4-3-8-12(13)18-15(20)19-14-10(16)6-5-7-11(14)17/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyXJMHVCKZGYZDKE-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039796
1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 6468024
N-(2,6-difluorophenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109200015
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
1-[2-(2-aminoethoxy)phenyl]-3-(2-fluorophenyl)urea
CID 43175667
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea (CID 108992038) is 1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea?
The InChIKey is XJMHVCKZGYZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-21-13-9-4-3-8-12(13)18-15(20)19-14-10(16)6-5-7-11(14)17/h3-9H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea?
1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea has a molecular weight of 292.29 g/mol, XLogP of 4.01, 4 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-ethoxyphenyl)urea is sourced from PubChem (CID 108992038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).