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

C18H18ClN3O4 — CID 8900582

IUPACN'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC
InChIInChI=1S/C18H18ClN3O4/c1-11-4-6-13(7-5-11)21-17(23)18(24)22-20-10-12-8-14(19)16(26-3)15(9-12)25-2/h4-10H,1-3H3,(H,21,23)(H,22,24)/b20-10-
InChIKeyPTGQUBVIDJCARP-JMIUGGIZSA-N
MW375.81 g/mol
LogP2.75
Rot. Bonds5

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

N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 8900582) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID8900582
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC
InChIInChI=1S/C18H18ClN3O4/c1-11-4-6-13(7-5-11)21-17(23)18(24)22-20-10-12-8-14(19)16(26-3)15(9-12)25-2/h4-10H,1-3H3,(H,21,23)(H,22,24)/b20-10-
InChIKeyPTGQUBVIDJCARP-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-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
CID 21214231
N-(3,5-dimethylphenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6108260
N'-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8931757
N'-[(Z)-[3-chloro-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164026
N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9179776
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144006
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
[2-methoxy-4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3731815
N'-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 3430902
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180158
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (CID 8900582) is N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is COc1cc(/C=N\NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC.
What is the InChIKey of N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is PTGQUBVIDJCARP-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-11-4-6-13(7-5-11)21-17(23)18(24)22-20-10-12-8-14(19)16(26-3)15(9-12)25-2/h4-10H,1-3H3,(H,21,23)(H,22,24)/b20-10-.
What are the key properties of N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)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'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 8900582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).