N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide

C17H15Cl2N3O3 — CID 4253196

IUPACN'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NN=Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H15Cl2N3O3/c1-2-25-12-8-6-11(7-9-12)21-16(23)17(24)22-20-10-13-14(18)4-3-5-15(13)19/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyKDMHCFVSMGLZBR-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.48
Rot. Bonds5

About N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide

N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide (PubChem CID 4253196) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
PubChem CID4253196
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC NameN'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NN=Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H15Cl2N3O3/c1-2-25-12-8-6-11(7-9-12)21-16(23)17(24)22-20-10-13-14(18)4-3-5-15(13)19/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyKDMHCFVSMGLZBR-UHFFFAOYSA-N
XLogP3.48
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-ethoxyphenoxy)acetamide
CID 19189673
N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
CID 51060164
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 2244299
N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 5333273
N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 8898963
N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide
CID 3527403
N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6028508
N'-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 19661089
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 8932304
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4094540
N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 3528185
N-(4-butoxyphenyl)-N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]oxamide
CID 8931666

Frequently Asked Questions

What is the IUPAC name of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide?
The IUPAC name of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide (CID 4253196) is N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NN=Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide?
The InChIKey is KDMHCFVSMGLZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-2-25-12-8-6-11(7-9-12)21-16(23)17(24)22-20-10-13-14(18)4-3-5-15(13)19/h3-10H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide?
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide has a molecular weight of 380.23 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 4253196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).