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

C12H14F2N2O3 — CID 47224631

IUPACN'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H14F2N2O3/c1-19-7-3-6-15-11(17)12(18)16-10-8(13)4-2-5-9(10)14/h2,4-5H,3,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyXEDDIAZSTWMRQB-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.06
Rot. Bonds5

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

N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide (PubChem CID 47224631) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
PubChem CID47224631
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC NameN'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H14F2N2O3/c1-19-7-3-6-15-11(17)12(18)16-10-8(13)4-2-5-9(10)14/h2,4-5H,3,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyXEDDIAZSTWMRQB-UHFFFAOYSA-N
XLogP1.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.06
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-ethoxypropyl)oxamide
CID 47225872
N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
CID 108513680
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
2,6-difluoro-N-(3-methoxypropyl)aniline
CID 60926433
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
N-(2,6-difluorophenyl)-N'-methoxyoxamide
CID 99636399
N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
CID 3114000
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide (CID 47224631) is N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide?
The InChIKey is XEDDIAZSTWMRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-19-7-3-6-15-11(17)12(18)16-10-8(13)4-2-5-9(10)14/h2,4-5H,3,6-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide?
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide has a molecular weight of 272.25 g/mol, XLogP of 1.06, 5 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-methoxypropyl)oxamide is sourced from PubChem (CID 47224631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).