2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide

C22H17BrClFN2O3 — CID 5105710

IUPAC2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
SMILESO=C(CON=Cc1ccc(OCc2ccccc2F)c(Br)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H17BrClFN2O3/c23-19-11-15(5-10-21(19)29-13-16-3-1-2-4-20(16)25)12-26-30-14-22(28)27-18-8-6-17(24)7-9-18/h1-12H,13-14H2,(H,27,28)
InChIKeyRCWURCKUJNOMNP-UHFFFAOYSA-N
MW491.74 g/mol
LogP5.81
Rot. Bonds8

About 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide

2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide (PubChem CID 5105710) has the molecular formula C22H17BrClFN2O3 and a molecular weight of 491.74 g/mol. Its IUPAC name is 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
PubChem CID5105710
Molecular FormulaC22H17BrClFN2O3
Molecular Weight491.74 g/mol
Exact Mass490.01
IUPAC Name2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
SMILESO=C(CON=Cc1ccc(OCc2ccccc2F)c(Br)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H17BrClFN2O3/c23-19-11-15(5-10-21(19)29-13-16-3-1-2-4-20(16)25)12-26-30-14-22(28)27-18-8-6-17(24)7-9-18/h1-12H,13-14H2,(H,27,28)
InChIKeyRCWURCKUJNOMNP-UHFFFAOYSA-N
XLogP5.81
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.74
LogP ≤ 55.81
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)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381516
2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 124551705
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-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548221
2-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 3881838
2-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 126380130
N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 4272476
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloroanilino)acetamide
CID 126367878
N'-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 3912997

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide (CID 5105710) is 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide is O=C(CON=Cc1ccc(OCc2ccccc2F)c(Br)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
The InChIKey is RCWURCKUJNOMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClFN2O3/c23-19-11-15(5-10-21(19)29-13-16-3-1-2-4-20(16)25)12-26-30-14-22(28)27-18-8-6-17(24)7-9-18/h1-12H,13-14H2,(H,27,28).
What are the key properties of 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide has a molecular weight of 491.74 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 5105710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).