2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide

C26H21ClN2O3 — CID 124551221

IUPAC2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CO/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)Nc1ccccc1
InChIInChI=1S/C26H21ClN2O3/c27-22-13-14-25(31-17-20-9-6-8-19-7-4-5-12-24(19)20)21(15-22)16-28-32-18-26(30)29-23-10-2-1-3-11-23/h1-16H,17-18H2,(H,29,30)/b28-16+
InChIKeyMSBWXCCCRITHEK-LQKURTRISA-N
MW444.92 g/mol
LogP6.06
Rot. Bonds8

About 2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide

2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide (PubChem CID 124551221) has the molecular formula C26H21ClN2O3 and a molecular weight of 444.92 g/mol. Its IUPAC name is 2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide
PubChem CID124551221
Molecular FormulaC26H21ClN2O3
Molecular Weight444.92 g/mol
Exact Mass444.12
IUPAC Name2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CO/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)Nc1ccccc1
InChIInChI=1S/C26H21ClN2O3/c27-22-13-14-25(31-17-20-9-6-8-19-7-4-5-12-24(19)20)21(15-22)16-28-32-18-26(30)29-23-10-2-1-3-11-23/h1-16H,17-18H2,(H,29,30)/b28-16+
InChIKeyMSBWXCCCRITHEK-LQKURTRISA-N
XLogP6.06
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 56.06
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
2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381516
[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
CID 5082647
N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657836
N-(3-chlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703265
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 3274983
2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 5105710
2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 4272476
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 126380354
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide (CID 124551221) is 2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide is O=C(CO/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)Nc1ccccc1.
What is the InChIKey of 2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide?
The InChIKey is MSBWXCCCRITHEK-LQKURTRISA-N. The full InChI is InChI=1S/C26H21ClN2O3/c27-22-13-14-25(31-17-20-9-6-8-19-7-4-5-12-24(19)20)21(15-22)16-28-32-18-26(30)29-23-10-2-1-3-11-23/h1-16H,17-18H2,(H,29,30)/b28-16+.
What are the key properties of 2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide?
2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide has a molecular weight of 444.92 g/mol, XLogP of 6.06, 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-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 124551221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).