N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide

C20H23FN2O4 — CID 7699952

IUPACN-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2ccccc2F)ccc1OCC(C)C
InChIInChI=1S/C20H23FN2O4/c1-14(2)12-26-18-9-8-15(10-19(18)25-3)11-22-27-13-20(24)23-17-7-5-4-6-16(17)21/h4-11,14H,12-13H2,1-3H3,(H,23,24)/b22-11-
InChIKeyVKBFMQFOFQMYJK-JJFYIABZSA-N
MW374.41 g/mol
LogP3.86
Rot. Bonds9

About N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide

N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide (PubChem CID 7699952) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide
PubChem CID7699952
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2ccccc2F)ccc1OCC(C)C
InChIInChI=1S/C20H23FN2O4/c1-14(2)12-26-18-9-8-15(10-19(18)25-3)11-22-27-13-20(24)23-17-7-5-4-6-16(17)21/h4-11,14H,12-13H2,1-3H3,(H,23,24)/b22-11-
InChIKeyVKBFMQFOFQMYJK-JJFYIABZSA-N
XLogP3.86
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7700109
N-(2,5-dimethylphenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide
CID 7699940
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
N-[[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4687352
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7662790
N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126269804
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126262196
N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668894
ethyl 2-[4-[[[3-(2-fluoroanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 3990282
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7663197
N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 3894304

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide (CID 7699952) is N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide is COc1cc(/C=N\OCC(=O)Nc2ccccc2F)ccc1OCC(C)C.
What is the InChIKey of N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide?
The InChIKey is VKBFMQFOFQMYJK-JJFYIABZSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-14(2)12-26-18-9-8-15(10-19(18)25-3)11-22-27-13-20(24)23-17-7-5-4-6-16(17)21/h4-11,14H,12-13H2,1-3H3,(H,23,24)/b22-11-.
What are the key properties of N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide?
N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide has a molecular weight of 374.41 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide is sourced from PubChem (CID 7699952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).