N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide

C15H11Cl2N3O2 — CID 51060164

IUPACN'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
SMILESO=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C15H11Cl2N3O2/c16-12-7-4-8-13(17)11(12)9-18-20-15(22)14(21)19-10-5-2-1-3-6-10/h1-9H,(H,19,21)(H,20,22)/b18-9+
InChIKeyGIYCERRDUMPLJR-GIJQJNRQSA-N
MW336.18 g/mol
LogP3.08
Rot. Bonds3

About N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide

N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide (PubChem CID 51060164) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
PubChem CID51060164
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC NameN'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
SMILESO=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C15H11Cl2N3O2/c16-12-7-4-8-13(17)11(12)9-18-20-15(22)14(21)19-10-5-2-1-3-6-10/h1-9H,(H,19,21)(H,20,22)/b18-9+
InChIKeyGIYCERRDUMPLJR-GIJQJNRQSA-N
XLogP3.08
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.08
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-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide
CID 3527403
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 7738333
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4253196
N-(2-bromophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
CID 94847083
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 6288830
N-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860
N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
methyl 4-[[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240896
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 6028561
N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 19661193
1-(3-chlorophenyl)-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]urea
CID 110536315
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-methylpropanamide
CID 14593053

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide?
The IUPAC name of N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide (CID 51060164) is N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide.
What is the SMILES notation for N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide?
The canonical SMILES for N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide is O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1.
What is the InChIKey of N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide?
The InChIKey is GIYCERRDUMPLJR-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-12-7-4-8-13(17)11(12)9-18-20-15(22)14(21)19-10-5-2-1-3-6-10/h1-9H,(H,19,21)(H,20,22)/b18-9+.
What are the key properties of N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide?
N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide has a molecular weight of 336.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide is sourced from PubChem (CID 51060164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).