N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide

C24H19Cl4N3O4 — CID 19658163

IUPACN-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl4N3O4/c1-13(30-31-24(33)23(32)29-19-5-3-4-17(26)22(19)28)14-7-9-20(21(10-14)34-2)35-12-15-6-8-16(25)11-18(15)27/h3-11H,12H2,1-2H3,(H,29,32)(H,31,33)/b30-13+
InChIKeyJUVKIRXWWWIYEJ-VVEOGCPPSA-N
MW555.25 g/mol
LogP6.37
Rot. Bonds7

About N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide

N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide (PubChem CID 19658163) has the molecular formula C24H19Cl4N3O4 and a molecular weight of 555.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
PubChem CID19658163
Molecular FormulaC24H19Cl4N3O4
Molecular Weight555.25 g/mol
Exact Mass553.01
IUPAC NameN-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl4N3O4/c1-13(30-31-24(33)23(32)29-19-5-3-4-17(26)22(19)28)14-7-9-20(21(10-14)34-2)35-12-15-6-8-16(25)11-18(15)27/h3-11H,12H2,1-2H3,(H,29,32)(H,31,33)/b30-13+
InChIKeyJUVKIRXWWWIYEJ-VVEOGCPPSA-N
XLogP6.37
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.25
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659972
N-(2,5-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 4097302
[4-[(E)-N-[[2-(2,3-dichloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 2-methylbenzoate
CID 19661579
N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 19659649
N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658627
N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 4110074
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide
CID 4126333
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
[2-methoxy-4-[N-[[2-(2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 4168814
N-(4-chlorophenyl)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 19661284
N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19660559
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 124540731

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide (CID 19658163) is N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide is COc1cc(/C(C)=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The InChIKey is JUVKIRXWWWIYEJ-VVEOGCPPSA-N. The full InChI is InChI=1S/C24H19Cl4N3O4/c1-13(30-31-24(33)23(32)29-19-5-3-4-17(26)22(19)28)14-7-9-20(21(10-14)34-2)35-12-15-6-8-16(25)11-18(15)27/h3-11H,12H2,1-2H3,(H,29,32)(H,31,33)/b30-13+.
What are the key properties of N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide has a molecular weight of 555.25 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19658163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).