2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide

C23H21FN2O3 — CID 4272476

IUPAC2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CON=Cc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O3/c1-17-10-12-20(13-11-17)26-23(27)16-29-25-14-18-6-3-5-9-22(18)28-15-19-7-2-4-8-21(19)24/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyLZGXYEQSJIVROO-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.70
Rot. Bonds8

About 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide

2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide (PubChem CID 4272476) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
PubChem CID4272476
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CON=Cc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O3/c1-17-10-12-20(13-11-17)26-23(27)16-29-25-14-18-6-3-5-9-22(18)28-15-19-7-2-4-8-21(19)24/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyLZGXYEQSJIVROO-UHFFFAOYSA-N
XLogP4.70
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 126374184
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3948136
N-(4-fluorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670162
2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381516
2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 5105710
N-(4-acetylphenyl)-2-[(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 2530880
N-(2-fluorophenyl)-N'-[(Z)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276514
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide
CID 7664217
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 7670659
N-(4-chlorophenyl)-2-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]oxyacetamide
CID 3953634
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide (CID 4272476) is 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CON=Cc2ccccc2OCc2ccccc2F)cc1.
What is the InChIKey of 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The InChIKey is LZGXYEQSJIVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-17-10-12-20(13-11-17)26-23(27)16-29-25-14-18-6-3-5-9-22(18)28-15-19-7-2-4-8-21(19)24/h2-14H,15-16H2,1H3,(H,26,27).
What are the key properties of 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide has a molecular weight of 392.43 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4272476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).