N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide

C16H12Cl3N3O3 — CID 4520831

IUPACN-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3N3O3/c1-25-14-5-4-11(18)7-13(14)21-15(23)16(24)22-20-8-9-2-3-10(17)6-12(9)19/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyFKSGTCDTRYJKOV-UHFFFAOYSA-N
MW400.65 g/mol
LogP3.74
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide

N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide (PubChem CID 4520831) has the molecular formula C16H12Cl3N3O3 and a molecular weight of 400.65 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
PubChem CID4520831
Molecular FormulaC16H12Cl3N3O3
Molecular Weight400.65 g/mol
Exact Mass398.99
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3N3O3/c1-25-14-5-4-11(18)7-13(14)21-15(23)16(24)22-20-8-9-2-3-10(17)6-12(9)19/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyFKSGTCDTRYJKOV-UHFFFAOYSA-N
XLogP3.74
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 53.74
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)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540
N-(5-chloro-2-methoxyphenyl)-N'-[(2,3-dimethoxyphenyl)methylideneamino]oxamide
CID 4064116
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 94847462
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3426233
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
[2-[[[2-(5-chloro-2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 4204309
[4-[[[2-(5-chloro-2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 4165341
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]oxamide
CID 6058233
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6302384
N-(4-chloro-2-methylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4284877
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-chloro-2-methylphenyl)oxamide
CID 4159883

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide (CID 4520831) is N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
The InChIKey is FKSGTCDTRYJKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3O3/c1-25-14-5-4-11(18)7-13(14)21-15(23)16(24)22-20-8-9-2-3-10(17)6-12(9)19/h2-8H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide has a molecular weight of 400.65 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 4520831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).