N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide

C16H11Cl2N3O4 — CID 6117407

IUPACN'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl2N3O4/c17-10-2-1-3-11(14(10)18)20-15(22)16(23)21-19-7-9-4-5-12-13(6-9)25-8-24-12/h1-7H,8H2,(H,20,22)(H,21,23)/b19-7-
InChIKeyVMYYEMBRAKDDNG-GXHLCREISA-N
MW380.19 g/mol
LogP2.81
Rot. Bonds3

About N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide

N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide (PubChem CID 6117407) has the molecular formula C16H11Cl2N3O4 and a molecular weight of 380.19 g/mol. Its IUPAC name is N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide
PubChem CID6117407
Molecular FormulaC16H11Cl2N3O4
Molecular Weight380.19 g/mol
Exact Mass379.01
IUPAC NameN'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl2N3O4/c17-10-2-1-3-11(14(10)18)20-15(22)16(23)21-19-7-9-4-5-12-13(6-9)25-8-24-12/h1-7H,8H2,(H,20,22)(H,21,23)/b19-7-
InChIKeyVMYYEMBRAKDDNG-GXHLCREISA-N
XLogP2.81
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N'-(1,3-benzodioxol-5-ylmethylideneamino)oxamide
CID 3937826
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide
CID 6260851
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-chlorophenyl)butanediamide
CID 5258607
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-(3-chloro-4-fluorophenyl)oxamide
CID 5046834
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 92652543
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813992
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 5076013
(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825271
N-(2,3-dichlorophenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126262790
N-(2-chlorophenyl)-N'-[(E)-(3-chlorophenyl)methylideneamino]oxamide
CID 6871246
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989336
N-(1,3-benzodioxol-5-ylmethylideneamino)-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 2325258

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide?
The IUPAC name of N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide (CID 6117407) is N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide is O=C(N/N=C\c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide?
The InChIKey is VMYYEMBRAKDDNG-GXHLCREISA-N. The full InChI is InChI=1S/C16H11Cl2N3O4/c17-10-2-1-3-11(14(10)18)20-15(22)16(23)21-19-7-9-4-5-12-13(6-9)25-8-24-12/h1-7H,8H2,(H,20,22)(H,21,23)/b19-7-.
What are the key properties of N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide?
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide has a molecular weight of 380.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide is sourced from PubChem (CID 6117407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).