N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide

C18H18ClN3O4 — CID 6302384

IUPACN-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C18H18ClN3O4/c1-11-4-6-13(19)9-14(11)21-17(23)18(24)22-20-10-12-5-7-15(25-2)16(8-12)26-3/h4-10H,1-3H3,(H,21,23)(H,22,24)/b20-10-
InChIKeyCVAHVVUZKSUOIM-JMIUGGIZSA-N
MW375.81 g/mol
LogP2.75
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide

N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide (PubChem CID 6302384) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
PubChem CID6302384
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C18H18ClN3O4/c1-11-4-6-13(19)9-14(11)21-17(23)18(24)22-20-10-12-5-7-15(25-2)16(8-12)26-3/h4-10H,1-3H3,(H,21,23)(H,22,24)/b20-10-
InChIKeyCVAHVVUZKSUOIM-JMIUGGIZSA-N
XLogP2.75
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.75
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-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4594716
N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 4565395
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 4992748
N'-[(3,4-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 5078309
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(5-chloro-2-methylphenyl)oxamide
CID 94850508
(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 84575680
N'-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 5240657
N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 94847462
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 4583461
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126169569
N-(4-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3969942
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide (CID 6302384) is N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide is COc1ccc(/C=N\NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OC.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is CVAHVVUZKSUOIM-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-11-4-6-13(19)9-14(11)21-17(23)18(24)22-20-10-12-5-7-15(25-2)16(8-12)26-3/h4-10H,1-3H3,(H,21,23)(H,22,24)/b20-10-.
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide?
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 375.81 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6302384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).