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

C18H17Cl2N3O2 — CID 6871449

IUPACN'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C18H17Cl2N3O2/c1-10-6-11(2)16(12(3)7-10)22-17(24)18(25)23-21-9-13-4-5-14(19)8-15(13)20/h4-9H,1-3H3,(H,22,24)(H,23,25)/b21-9+
InChIKeyXYYQCRURXVACSH-ZVBGSRNCSA-N
MW378.26 g/mol
LogP4.01
Rot. Bonds3

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

N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide (PubChem CID 6871449) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide
PubChem CID6871449
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C18H17Cl2N3O2/c1-10-6-11(2)16(12(3)7-10)22-17(24)18(25)23-21-9-13-4-5-14(19)8-15(13)20/h4-9H,1-3H3,(H,22,24)(H,23,25)/b21-9+
InChIKeyXYYQCRURXVACSH-ZVBGSRNCSA-N
XLogP4.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.01
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'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3426233
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 4520831
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 3337673
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 2244299
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540
N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512199
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833575

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide (CID 6871449) is N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is XYYQCRURXVACSH-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-10-6-11(2)16(12(3)7-10)22-17(24)18(25)23-21-9-13-4-5-14(19)8-15(13)20/h4-9H,1-3H3,(H,22,24)(H,23,25)/b21-9+.
What are the key properties of N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide?
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 378.26 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 6871449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).