N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide

C22H18Cl2N2O3 — CID 126380354

IUPACN-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O3/c23-18-7-9-19(10-8-18)26-22(27)15-29-25-13-17-6-11-21(20(24)12-17)28-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27)/b25-13+
InChIKeyOYUGAESGMJBLSR-DHRITJCHSA-N
MW429.30 g/mol
LogP5.56
Rot. Bonds8

About N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide

N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 126380354) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID126380354
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC NameN-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O3/c23-18-7-9-19(10-8-18)26-22(27)15-29-25-13-17-6-11-21(20(24)12-17)28-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27)/b25-13+
InChIKeyOYUGAESGMJBLSR-DHRITJCHSA-N
XLogP5.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.56
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-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548221
2-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 3881838
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 5105710
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
N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 3922392
2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 124551705
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126328674
2-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126374789

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide (CID 126380354) is N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide is O=C(CO/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is OYUGAESGMJBLSR-DHRITJCHSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c23-18-7-9-19(10-8-18)26-22(27)15-29-25-13-17-6-11-21(20(24)12-17)28-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27)/b25-13+.
What are the key properties of N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 429.30 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 126380354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).