N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide

C25H23Cl2N3O3 — CID 19659382

IUPACN'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1C)c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C25H23Cl2N3O3/c1-15-7-12-23(16(2)13-15)28-24(31)25(32)30-29-17(3)18-8-10-19(11-9-18)33-14-20-21(26)5-4-6-22(20)27/h4-13H,14H2,1-3H3,(H,28,31)(H,30,32)/b29-17+
InChIKeyILTPIOGHLXUSLL-STBIYBPSSA-N
MW484.38 g/mol
LogP5.67
Rot. Bonds6

About N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide

N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide (PubChem CID 19659382) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide
PubChem CID19659382
Molecular FormulaC25H23Cl2N3O3
Molecular Weight484.38 g/mol
Exact Mass483.11
IUPAC NameN'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1C)c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C25H23Cl2N3O3/c1-15-7-12-23(16(2)13-15)28-24(31)25(32)30-29-17(3)18-8-10-19(11-9-18)33-14-20-21(26)5-4-6-22(20)27/h4-13H,14H2,1-3H3,(H,28,31)(H,30,32)/b29-17+
InChIKeyILTPIOGHLXUSLL-STBIYBPSSA-N
XLogP5.67
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.38
LogP ≤ 55.67
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-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5051458
[4-[(E)-N-[[2-(2,4-dimethylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 3-methylbenzoate
CID 19658161
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658779
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3618515
N-(3-chloro-2-methylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5105677
N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658302
[4-[(E)-N-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-methylbenzoate
CID 19658334
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide
CID 4115842
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659544
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659738
N'-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 19661089

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide?
The IUPAC name of N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide (CID 19659382) is N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide is C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1C)c1ccc(OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide?
The InChIKey is ILTPIOGHLXUSLL-STBIYBPSSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c1-15-7-12-23(16(2)13-15)28-24(31)25(32)30-29-17(3)18-8-10-19(11-9-18)33-14-20-21(26)5-4-6-22(20)27/h4-13H,14H2,1-3H3,(H,28,31)(H,30,32)/b29-17+.
What are the key properties of N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide?
N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide has a molecular weight of 484.38 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide is sourced from PubChem (CID 19659382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).