N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide

C13H16F2N2O3 — CID 47225872

IUPACN'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3/c1-2-20-8-4-7-16-12(18)13(19)17-11-9(14)5-3-6-10(11)15/h3,5-6H,2,4,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyWMCRETAZQQQUOG-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.45
Rot. Bonds6

About N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide

N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide (PubChem CID 47225872) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
PubChem CID47225872
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC NameN'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O3/c1-2-20-8-4-7-16-12(18)13(19)17-11-9(14)5-3-6-10(11)15/h3,5-6H,2,4,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyWMCRETAZQQQUOG-UHFFFAOYSA-N
XLogP1.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
CID 108513680
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47147953
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
CID 4614833
1-(3-ethoxypropyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897476
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
CID 108505353
N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide (CID 47225872) is N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide?
The InChIKey is WMCRETAZQQQUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-2-20-8-4-7-16-12(18)13(19)17-11-9(14)5-3-6-10(11)15/h3,5-6H,2,4,7-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide?
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide has a molecular weight of 286.28 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 47225872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).