(2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide

C9H8ClFN2O3 — CID 170552143

IUPAC(2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
SMILESCOc1c(Cl)ccc(NC(=O)/C=N/O)c1F
InChIInChI=1S/C9H8ClFN2O3/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+
InChIKeyZZKMDVBPNCHFHT-UUILKARUSA-N
MW246.62 g/mol
LogP1.89
Rot. Bonds3

About (2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide

(2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide (PubChem CID 170552143) has the molecular formula C9H8ClFN2O3 and a molecular weight of 246.62 g/mol. Its IUPAC name is (2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
PubChem CID170552143
Molecular FormulaC9H8ClFN2O3
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name(2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
SMILESCOc1c(Cl)ccc(NC(=O)/C=N/O)c1F
InChIInChI=1S/C9H8ClFN2O3/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+
InChIKeyZZKMDVBPNCHFHT-UUILKARUSA-N
XLogP1.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide (CID 170552143) is (2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide is COc1c(Cl)ccc(NC(=O)/C=N/O)c1F.
What is the InChIKey of (2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide?
The InChIKey is ZZKMDVBPNCHFHT-UUILKARUSA-N. The full InChI is InChI=1S/C9H8ClFN2O3/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-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide?
(2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide has a molecular weight of 246.62 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 170552143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).