2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide

C18H18F2N2O4 — CID 7644287

IUPAC2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CO/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C18H18F2N2O4/c1-24-15-8-4-2-6-13(15)10-21-17(23)12-25-22-11-14-7-3-5-9-16(14)26-18(19)20/h2-9,11,18H,10,12H2,1H3,(H,21,23)/b22-11-
InChIKeyZISAVSIRTHQUAW-JJFYIABZSA-N
MW364.35 g/mol
LogP2.96
Rot. Bonds9

About 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide

2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 7644287) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID7644287
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CO/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C18H18F2N2O4/c1-24-15-8-4-2-6-13(15)10-21-17(23)12-25-22-11-14-7-3-5-9-16(14)26-18(19)20/h2-9,11,18H,10,12H2,1H3,(H,21,23)/b22-11-
InChIKeyZISAVSIRTHQUAW-JJFYIABZSA-N
XLogP2.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.96
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

2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
2-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 18292189
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7644363
methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate
CID 7664095
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7644360
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7644362
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 7644461
2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 5171892
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide (CID 7644287) is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CO/N=C\c1ccccc1OC(F)F.
What is the InChIKey of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is ZISAVSIRTHQUAW-JJFYIABZSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-24-15-8-4-2-6-13(15)10-21-17(23)12-25-22-11-14-7-3-5-9-16(14)26-18(19)20/h2-9,11,18H,10,12H2,1H3,(H,21,23)/b22-11-.
What are the key properties of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 364.35 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 7644287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).