N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide

C13H15Cl2N3O2 — CID 4270440

IUPACN'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-8(2)6-16-12(19)13(20)18-17-7-9-10(14)4-3-5-11(9)15/h3-5,7-8H,6H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyITSLVIWXQBJINC-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.22
Rot. Bonds4

About N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide

N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide (PubChem CID 4270440) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
PubChem CID4270440
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC NameN'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-8(2)6-16-12(19)13(20)18-17-7-9-10(14)4-3-5-11(9)15/h3-5,7-8H,6H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyITSLVIWXQBJINC-UHFFFAOYSA-N
XLogP2.22
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-methylpropanamide
CID 14593053
N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 46741717
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361
N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
CID 51060164
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 40538842
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 46741715
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 8932118
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128229
N'-[(Z)-[3-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126158252
N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8930307
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylbutanamide
CID 4157167
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4253196

Frequently Asked Questions

What is the IUPAC name of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide (CID 4270440) is N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
The InChIKey is ITSLVIWXQBJINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-8(2)6-16-12(19)13(20)18-17-7-9-10(14)4-3-5-11(9)15/h3-5,7-8H,6H2,1-2H3,(H,16,19)(H,18,20).
What are the key properties of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide has a molecular weight of 316.19 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 4270440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).