2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide

C17H17ClN2O4 — CID 126047053

IUPAC2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O4/c1-2-23-15-9-12(10-19-22)8-14(18)17(15)24-11-16(21)20-13-6-4-3-5-7-13/h3-10,22H,2,11H2,1H3,(H,20,21)/b19-10-
InChIKeyHFBLUTIUWIXRPN-GRSHGNNSSA-N
MW348.79 g/mol
LogP3.56
Rot. Bonds7

About 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide

2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide (PubChem CID 126047053) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
PubChem CID126047053
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O4/c1-2-23-15-9-12(10-19-22)8-14(18)17(15)24-11-16(21)20-13-6-4-3-5-7-13/h3-10,22H,2,11H2,1H3,(H,20,21)/b19-10-
InChIKeyHFBLUTIUWIXRPN-GRSHGNNSSA-N
XLogP3.56
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-chloro-4-[(diaminomethylidenehydrazinylidene)methyl]-6-ethoxyphenoxy]-N-phenylacetamide
CID 168591939
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]benzamide
CID 126262841
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126173094
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126265967
2-[2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126056242
4-chloro-N-[(E)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 126272755
(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 5408706
2-[2-chloro-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126272531
N-[(E)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 126274135
2-[2-chloro-4-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-ethoxyphenoxy]-N-phenylacetamide
CID 21375424
2-[2-chloro-6-ethoxy-4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126234834

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide (CID 126047053) is 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide is CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide?
The InChIKey is HFBLUTIUWIXRPN-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-2-23-15-9-12(10-19-22)8-14(18)17(15)24-11-16(21)20-13-6-4-3-5-7-13/h3-10,22H,2,11H2,1H3,(H,20,21)/b19-10-.
What are the key properties of 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide?
2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide has a molecular weight of 348.79 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126047053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).