N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide

C15H20F2N2O3 — CID 95773573

IUPACN-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide
SMILESCCCC[C@@H](COC)NC(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O3/c1-3-4-6-10(9-22-2)18-14(20)15(21)19-13-11(16)7-5-8-12(13)17/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,18,20)(H,19,21)/t10-/m0/s1
InChIKeyTWYLHGIDXISIEZ-JTQLQIEISA-N
MW314.33 g/mol
LogP2.22
Rot. Bonds7

About N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide

N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide (PubChem CID 95773573) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide
PubChem CID95773573
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC NameN-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide
SMILESCCCC[C@@H](COC)NC(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O3/c1-3-4-6-10(9-22-2)18-14(20)15(21)19-13-11(16)7-5-8-12(13)17/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,18,20)(H,19,21)/t10-/m0/s1
InChIKeyTWYLHGIDXISIEZ-JTQLQIEISA-N
XLogP2.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid
CID 61194249
N-(2,6-difluorophenyl)-N'-methoxyoxamide
CID 99636399
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
1-(2,6-difluorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea
CID 3671941
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47225872
3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027972
3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119795706
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106183792

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide?
The IUPAC name of N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide (CID 95773573) is N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide is CCCC[C@@H](COC)NC(=O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide?
The InChIKey is TWYLHGIDXISIEZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-3-4-6-10(9-22-2)18-14(20)15(21)19-13-11(16)7-5-8-12(13)17/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,18,20)(H,19,21)/t10-/m0/s1.
What are the key properties of N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide?
N-(2,6-difluorophenyl)-N'-[(2S)-1-methoxyhexan-2-yl]oxamide has a molecular weight of 314.33 g/mol, XLogP of 2.22, 7 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'-[(2S)-1-methoxyhexan-2-yl]oxamide is sourced from PubChem (CID 95773573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).