2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide

C23H20ClFN2O3 — CID 126374184

IUPAC2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1
InChIInChI=1S/C23H20ClFN2O3/c1-16-6-9-20(10-7-16)27-23(28)15-30-26-13-18-12-19(24)8-11-22(18)29-14-17-4-2-3-5-21(17)25/h2-13H,14-15H2,1H3,(H,27,28)/b26-13+
InChIKeyCRUYSLXVJMFTCC-LGJNPRDNSA-N
MW426.88 g/mol
LogP5.36
Rot. Bonds8

About 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide

2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide (PubChem CID 126374184) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
PubChem CID126374184
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC Name2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1
InChIInChI=1S/C23H20ClFN2O3/c1-16-6-9-20(10-7-16)27-23(28)15-30-26-13-18-12-19(24)8-11-22(18)29-14-17-4-2-3-5-21(17)25/h2-13H,14-15H2,1H3,(H,27,28)/b26-13+
InChIKeyCRUYSLXVJMFTCC-LGJNPRDNSA-N
XLogP5.36
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 55.36
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-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 4272476
2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide
CID 124551221
2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 5105710
2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381516
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3948136
N-[(E)-[2-(2-anilino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-4-methylbenzamide
CID 126274347
N-(3-chlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703265
2-[4-chloro-2-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126232497
N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 4011223
2-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 3881838
2-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548221
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide (CID 126374184) is 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CO/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1.
What is the InChIKey of 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
The InChIKey is CRUYSLXVJMFTCC-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c1-16-6-9-20(10-7-16)27-23(28)15-30-26-13-18-12-19(24)8-11-22(18)29-14-17-4-2-3-5-21(17)25/h2-13H,14-15H2,1H3,(H,27,28)/b26-13+.
What are the key properties of 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide?
2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide has a molecular weight of 426.88 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 126374184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).