2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide

C15H16F2N3O2+ — CID 23524739

IUPAC2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide
SMILESC[n+]1cccc(COc2ccccc2NNC(=O)C(F)F)c1
InChIInChI=1S/C15H15F2N3O2/c1-20-8-4-5-11(9-20)10-22-13-7-3-2-6-12(13)18-19-15(21)14(16)17/h2-9,14,18H,10H2,1H3/p+1
InChIKeyZDMBNPQLYCHKFH-UHFFFAOYSA-O
MW308.31 g/mol
LogP1.80
Rot. Bonds6

About 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide

2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide (PubChem CID 23524739) has the molecular formula C15H16F2N3O2+ and a molecular weight of 308.31 g/mol. Its IUPAC name is 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide.

Molecular Properties

Compound Name2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide
PubChem CID23524739
Molecular FormulaC15H16F2N3O2+
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide
SMILESC[n+]1cccc(COc2ccccc2NNC(=O)C(F)F)c1
InChIInChI=1S/C15H15F2N3O2/c1-20-8-4-5-11(9-20)10-22-13-7-3-2-6-12(13)18-19-15(21)14(16)17/h2-9,14,18H,10H2,1H3/p+1
InChIKeyZDMBNPQLYCHKFH-UHFFFAOYSA-O
XLogP1.80
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
8-(2-phenylmethoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide
CID 11671438
2-(2-phenylmethoxyanilino)-N-propan-2-ylacetamide
CID 54828083
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
CID 168636481
4-[2-[2-[(1-dodecylpyridin-1-ium-4-yl)methoxy]phenyl]hydrazinyl]-2,2,3,3-tetrafluoro-4-oxobutanoate
CID 23524781
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523
N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
methyl 1-oxido-3-phenylmethoxypyridin-1-ium-2-carboxylate
CID 15239991
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
methyl (2R)-2-[[(1R)-1-(2,4-difluorophenyl)-2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]-4-methylpentanoate
CID 68843310
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
methyl 3-[[2-(difluoromethyl)phenoxy]methyl]benzoate
CID 155146099

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide?
The IUPAC name of 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide (CID 23524739) is 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide.
What is the SMILES notation for 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide?
The canonical SMILES for 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide is C[n+]1cccc(COc2ccccc2NNC(=O)C(F)F)c1.
What is the InChIKey of 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide?
The InChIKey is ZDMBNPQLYCHKFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15F2N3O2/c1-20-8-4-5-11(9-20)10-22-13-7-3-2-6-12(13)18-19-15(21)14(16)17/h2-9,14,18H,10H2,1H3/p+1.
What are the key properties of 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide?
2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide has a molecular weight of 308.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-[2-[(1-methylpyridin-1-ium-3-yl)methoxy]phenyl]acetohydrazide is sourced from PubChem (CID 23524739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).