2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide

C18H18ClN3O3 — CID 46698554

IUPAC2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12(14-6-8-16(9-7-14)20-13(2)23)22-25-11-18(24)21-17-5-3-4-15(19)10-17/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)/b22-12+
InChIKeyVEFHIEAVABMMOA-WSDLNYQXSA-N
MW359.81 g/mol
LogP3.68
Rot. Bonds6

About 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide

2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide (PubChem CID 46698554) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
PubChem CID46698554
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12(14-6-8-16(9-7-14)20-13(2)23)22-25-11-18(24)21-17-5-3-4-15(19)10-17/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)/b22-12+
InChIKeyVEFHIEAVABMMOA-WSDLNYQXSA-N
XLogP3.68
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.68
H-Bond Donors ≤ 52
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)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1,3-benzodioxol-5-yl)acetamide
CID 46698539
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide
CID 24609674
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 46698556
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide
CID 24609676
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide
CID 51228642
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 51228433
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
4-[[2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetyl]amino]benzamide
CID 9207174

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide (CID 46698554) is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide is CC(=O)Nc1ccc(/C(C)=N/OCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide?
The InChIKey is VEFHIEAVABMMOA-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-12(14-6-8-16(9-7-14)20-13(2)23)22-25-11-18(24)21-17-5-3-4-15(19)10-17/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)/b22-12+.
What are the key properties of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide?
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide has a molecular weight of 359.81 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 46698554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).