2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide

C13H15Cl2N3O3 — CID 7701446

IUPAC2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CO/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2N3O3/c1-2-6-16-13(20)18-11(19)8-21-17-7-9-4-3-5-10(14)12(9)15/h3-5,7H,2,6,8H2,1H3,(H2,16,18,19,20)/b17-7-
InChIKeyAXDWIQJLYUNQCZ-IDUWFGFVSA-N
MW332.19 g/mol
LogP2.58
Rot. Bonds6

About 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide

2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide (PubChem CID 7701446) has the molecular formula C13H15Cl2N3O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
PubChem CID7701446
Molecular FormulaC13H15Cl2N3O3
Molecular Weight332.19 g/mol
Exact Mass331.05
IUPAC Name2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CO/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2N3O3/c1-2-6-16-13(20)18-11(19)8-21-17-7-9-4-3-5-10(14)12(9)15/h3-5,7H,2,6,8H2,1H3,(H2,16,18,19,20)/b17-7-
InChIKeyAXDWIQJLYUNQCZ-IDUWFGFVSA-N
XLogP2.58
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.58
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-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide
CID 57192756
N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701233
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7704785
2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7699310
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7701194
N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701325
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7701196
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate
CID 2565803
N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 9354539
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487293

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide (CID 7701446) is 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CO/N=C\c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide?
The InChIKey is AXDWIQJLYUNQCZ-IDUWFGFVSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3/c1-2-6-16-13(20)18-11(19)8-21-17-7-9-4-3-5-10(14)12(9)15/h3-5,7H,2,6,8H2,1H3,(H2,16,18,19,20)/b17-7-.
What are the key properties of 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide?
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide has a molecular weight of 332.19 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 7701446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).