2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide

C22H18ClFN2O3 — CID 126381516

IUPAC2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CO/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1)Nc1ccccc1
InChIInChI=1S/C22H18ClFN2O3/c23-19-12-16(10-11-21(19)28-14-17-6-4-5-9-20(17)24)13-25-29-15-22(27)26-18-7-2-1-3-8-18/h1-13H,14-15H2,(H,26,27)/b25-13+
InChIKeyCCJFKLBBPUTWDY-DHRITJCHSA-N
MW412.85 g/mol
LogP5.05
Rot. Bonds8

About 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide

2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide (PubChem CID 126381516) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
PubChem CID126381516
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC Name2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CO/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1)Nc1ccccc1
InChIInChI=1S/C22H18ClFN2O3/c23-19-12-16(10-11-21(19)28-14-17-6-4-5-9-20(17)24)13-25-29-15-22(27)26-18-7-2-1-3-8-18/h1-13H,14-15H2,(H,26,27)/b25-13+
InChIKeyCCJFKLBBPUTWDY-DHRITJCHSA-N
XLogP5.05
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.85
LogP ≤ 55.05
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-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 5105710
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 126380354
2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 126374184
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3948136
2-[(E)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126373978
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-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
methyl (E)-3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684683
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide (CID 126381516) is 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide is O=C(CO/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1)Nc1ccccc1.
What is the InChIKey of 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
The InChIKey is CCJFKLBBPUTWDY-DHRITJCHSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c23-19-12-16(10-11-21(19)28-14-17-6-4-5-9-20(17)24)13-25-29-15-22(27)26-18-7-2-1-3-8-18/h1-13H,14-15H2,(H,26,27)/b25-13+.
What are the key properties of 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide has a molecular weight of 412.85 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 126381516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).