2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide

C18H18F2N2O5 — CID 7644378

IUPAC2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CO/N=C\c2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C18H18F2N2O5/c1-24-15-8-7-13(9-16(15)25-2)22-17(23)11-26-21-10-12-5-3-4-6-14(12)27-18(19)20/h3-10,18H,11H2,1-2H3,(H,22,23)/b21-10-
InChIKeyINGBVMCDMGIXMQ-FBHDLOMBSA-N
MW380.35 g/mol
LogP3.29
Rot. Bonds9

About 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide

2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 7644378) has the molecular formula C18H18F2N2O5 and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID7644378
Molecular FormulaC18H18F2N2O5
Molecular Weight380.35 g/mol
Exact Mass380.12
IUPAC Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CO/N=C\c2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C18H18F2N2O5/c1-24-15-8-7-13(9-16(15)25-2)22-17(23)11-26-21-10-12-5-3-4-6-14(12)27-18(19)20/h3-10,18H,11H2,1-2H3,(H,22,23)/b21-10-
InChIKeyINGBVMCDMGIXMQ-FBHDLOMBSA-N
XLogP3.29
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 7644389
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide
CID 9353732
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide
CID 7665106
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7644287
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7644362
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044
2-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 18292189
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7665025
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663932

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide (CID 7644378) is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CO/N=C\c2ccccc2OC(F)F)cc1OC.
What is the InChIKey of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is INGBVMCDMGIXMQ-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H18F2N2O5/c1-24-15-8-7-13(9-16(15)25-2)22-17(23)11-26-21-10-12-5-3-4-6-14(12)27-18(19)20/h3-10,18H,11H2,1-2H3,(H,22,23)/b21-10-.
What are the key properties of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide?
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 380.35 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 7644378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).