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

C17H16F2N2O4 — CID 7644489

IUPAC2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CO/N=C\c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H16F2N2O4/c1-23-15-4-2-3-13(9-15)21-16(22)11-24-20-10-12-5-7-14(8-6-12)25-17(18)19/h2-10,17H,11H2,1H3,(H,21,22)/b20-10-
InChIKeyLJHIPPMVAMQONS-JMIUGGIZSA-N
MW350.32 g/mol
LogP3.29
Rot. Bonds8

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

2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide (PubChem CID 7644489) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
PubChem CID7644489
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC Name2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CO/N=C\c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H16F2N2O4/c1-23-15-4-2-3-13(9-15)21-16(22)11-24-20-10-12-5-7-14(8-6-12)25-17(18)19/h2-10,17H,11H2,1H3,(H,21,22)/b20-10-
InChIKeyLJHIPPMVAMQONS-JMIUGGIZSA-N
XLogP3.29
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 53.29
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

(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7703124
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7665025
N-[4-(difluoromethoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 2323436
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7644504
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42967725
N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide
CID 7665106
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
CID 6907348
2-[[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(3-phenoxyphenyl)acetamide
CID 2565865

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide (CID 7644489) is 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CO/N=C\c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide?
The InChIKey is LJHIPPMVAMQONS-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c1-23-15-4-2-3-13(9-15)21-16(22)11-24-20-10-12-5-7-14(8-6-12)25-17(18)19/h2-10,17H,11H2,1H3,(H,21,22)/b20-10-.
What are the key properties of 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide?
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide has a molecular weight of 350.32 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 7644489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).