(2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide

C9H8F2N2O3 — CID 170552186

IUPAC(2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
SMILESCOc1c(F)ccc(NC(=O)/C=N/O)c1F
InChIInChI=1S/C9H8F2N2O3/c1-16-9-5(10)2-3-6(8(9)11)13-7(14)4-12-15/h2-4,15H,1H3,(H,13,14)/b12-4+
InChIKeyFNLKYQYFWOTVPK-UUILKARUSA-N
MW230.17 g/mol
LogP1.37
Rot. Bonds3

About (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide

(2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide (PubChem CID 170552186) has the molecular formula C9H8F2N2O3 and a molecular weight of 230.17 g/mol. Its IUPAC name is (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
PubChem CID170552186
Molecular FormulaC9H8F2N2O3
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC Name(2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
SMILESCOc1c(F)ccc(NC(=O)/C=N/O)c1F
InChIInChI=1S/C9H8F2N2O3/c1-16-9-5(10)2-3-6(8(9)11)13-7(14)4-12-15/h2-4,15H,1H3,(H,13,14)/b12-4+
InChIKeyFNLKYQYFWOTVPK-UUILKARUSA-N
XLogP1.37
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
CID 170552143
(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
CID 87601247
N-(2,5-difluorophenyl)-2-hydroxyiminoacetamide
CID 86044839
methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate
CID 6904179
2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
CID 23255692
(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
2,3-difluoroaniline;(2E)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide;2,2,2-trichloroethane-1,1-diol
CID 172941629
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
N-(4-fluorophenyl)-2-hydroxyiminoacetamide
CID 6400930
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051
(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide
CID 71492732

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide (CID 170552186) is (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide is COc1c(F)ccc(NC(=O)/C=N/O)c1F.
What is the InChIKey of (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide?
The InChIKey is FNLKYQYFWOTVPK-UUILKARUSA-N. The full InChI is InChI=1S/C9H8F2N2O3/c1-16-9-5(10)2-3-6(8(9)11)13-7(14)4-12-15/h2-4,15H,1H3,(H,13,14)/b12-4+.
What are the key properties of (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide?
(2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide has a molecular weight of 230.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,4-difluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 170552186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).