3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide

C15H13F3N2O3 — CID 177004802

IUPAC3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(F)c(COc2ccc(ONF)cc2)c(F)c1
InChIInChI=1S/C15H13F3N2O3/c1-19-15(21)9-6-13(16)12(14(17)7-9)8-22-10-2-4-11(5-3-10)23-20-18/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyBPIOIIDYXJZLJT-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.67
Rot. Bonds6

About 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide

3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide (PubChem CID 177004802) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide
PubChem CID177004802
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(F)c(COc2ccc(ONF)cc2)c(F)c1
InChIInChI=1S/C15H13F3N2O3/c1-19-15(21)9-6-13(16)12(14(17)7-9)8-22-10-2-4-11(5-3-10)23-20-18/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyBPIOIIDYXJZLJT-UHFFFAOYSA-N
XLogP2.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
N-methyl-4-phenylmethoxybenzamide
CID 2996745
3-[(4-fluorophenyl)methoxy]-5-hydroxy-N-methylbenzamide
CID 144990998
3-fluoro-N,4,5-trimethylbenzamide
CID 142998846
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
4-[(2S)-3-amino-2-(dimethylamino)propyl]-3,5-difluoro-N-methylbenzamide
CID 165405080
3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116250
CID 167532226
CID 167532226
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
N-methyl-4-[2-(methylamino)ethoxy]benzamide
CID 19915722
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
N-[4-[[2,6-difluoro-4-[(2E,4E,6E)-2-methoxy-6-methylnona-2,4,6-trien-4-yl]phenyl]methoxy]phenoxy]-N-fluorohydroxylamine
CID 177004759

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide?
The IUPAC name of 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide (CID 177004802) is 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide?
The canonical SMILES for 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide is CNC(=O)c1cc(F)c(COc2ccc(ONF)cc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide?
The InChIKey is BPIOIIDYXJZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-19-15(21)9-6-13(16)12(14(17)7-9)8-22-10-2-4-11(5-3-10)23-20-18/h2-7,20H,8H2,1H3,(H,19,21).
What are the key properties of 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide?
3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide has a molecular weight of 326.27 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[[4-(fluoroamino)oxyphenoxy]methyl]-N-methylbenzamide is sourced from PubChem (CID 177004802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).