2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide

C21H18F2N2O4 — CID 7665106

IUPAC2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2ccc3ccccc3c2)ccc1OC(F)F
InChIInChI=1S/C21H18F2N2O4/c1-27-19-10-14(6-9-18(19)29-21(22)23)12-24-28-13-20(26)25-17-8-7-15-4-2-3-5-16(15)11-17/h2-12,21H,13H2,1H3,(H,25,26)/b24-12-
InChIKeyCXUCXCZRJIJFDV-MSXFZWOLSA-N
MW400.38 g/mol
LogP4.44
Rot. Bonds8

About 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide

2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide (PubChem CID 7665106) has the molecular formula C21H18F2N2O4 and a molecular weight of 400.38 g/mol. Its IUPAC name is 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide
PubChem CID7665106
Molecular FormulaC21H18F2N2O4
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC Name2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2ccc3ccccc3c2)ccc1OC(F)F
InChIInChI=1S/C21H18F2N2O4/c1-27-19-10-14(6-9-18(19)29-21(22)23)12-24-28-13-20(26)25-17-8-7-15-4-2-3-5-16(15)11-17/h2-12,21H,13H2,1H3,(H,25,26)/b24-12-
InChIKeyCXUCXCZRJIJFDV-MSXFZWOLSA-N
XLogP4.44
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 54.44
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'}

Analyze 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7665025
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18225212
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42967725
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 18276134
N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2438469
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide (CID 7665106) is 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide is COc1cc(/C=N\OCC(=O)Nc2ccc3ccccc3c2)ccc1OC(F)F.
What is the InChIKey of 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide?
The InChIKey is CXUCXCZRJIJFDV-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H18F2N2O4/c1-27-19-10-14(6-9-18(19)29-21(22)23)12-24-28-13-20(26)25-17-8-7-15-4-2-3-5-16(15)11-17/h2-12,21H,13H2,1H3,(H,25,26)/b24-12-.
What are the key properties of 2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide?
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide has a molecular weight of 400.38 g/mol, XLogP of 4.44, 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)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 7665106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).