(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide

C8H6F2N2O2 — CID 87601247

IUPAC(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
SMILESO=C(/C=N\O)Nc1cccc(F)c1F
InChIInChI=1S/C8H6F2N2O2/c9-5-2-1-3-6(8(5)10)12-7(13)4-11-14/h1-4,14H,(H,12,13)/b11-4-
InChIKeyYMBBUGISGQLGIK-WCIBSUBMSA-N
MW200.14 g/mol
LogP1.36
Rot. Bonds2

About (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide

(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide (PubChem CID 87601247) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
PubChem CID87601247
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
SMILESO=C(/C=N\O)Nc1cccc(F)c1F
InChIInChI=1S/C8H6F2N2O2/c9-5-2-1-3-6(8(5)10)12-7(13)4-11-14/h1-4,14H,(H,12,13)/b11-4-
InChIKeyYMBBUGISGQLGIK-WCIBSUBMSA-N
XLogP1.36
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoroaniline;(2E)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide;2,2,2-trichloroethane-1,1-diol
CID 172941629
(2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
CID 170552186
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
N-(2,5-difluorophenyl)-2-hydroxyiminoacetamide
CID 86044839
2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide
CID 68711741
(2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
CID 170552143
N-(2,3-difluorophenyl)benzamide
CID 139202270
N-(4-fluorophenyl)-2-hydroxyiminoacetamide
CID 6400930
methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate
CID 6904179

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide?
The IUPAC name of (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide (CID 87601247) is (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide is O=C(/C=N\O)Nc1cccc(F)c1F.
What is the InChIKey of (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide?
The InChIKey is YMBBUGISGQLGIK-WCIBSUBMSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c9-5-2-1-3-6(8(5)10)12-7(13)4-11-14/h1-4,14H,(H,12,13)/b11-4-.
What are the key properties of (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide?
(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide has a molecular weight of 200.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 87601247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).