N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide

C18H17Cl2N3O2 — CID 92652543

IUPACN-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCC(C)c1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O2/c1-11(2)13-8-6-12(7-9-13)10-21-23-18(25)17(24)22-15-5-3-4-14(19)16(15)20/h3-11H,1-2H3,(H,22,24)(H,23,25)/b21-10-
InChIKeyCYWTUYAUTBKVOL-FBHDLOMBSA-N
MW378.26 g/mol
LogP4.21
Rot. Bonds4

About N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide

N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide (PubChem CID 92652543) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
PubChem CID92652543
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCC(C)c1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O2/c1-11(2)13-8-6-12(7-9-13)10-21-23-18(25)17(24)22-15-5-3-4-14(19)16(15)20/h3-11H,1-2H3,(H,22,24)(H,23,25)/b21-10-
InChIKeyCYWTUYAUTBKVOL-FBHDLOMBSA-N
XLogP4.21
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989336
N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
CID 3686898
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6162635
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 6117407
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265471
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 41020309
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276766
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813992
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126177044
N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 4123133
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126157140

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide (CID 92652543) is N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide is CC(C)c1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The InChIKey is CYWTUYAUTBKVOL-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-11(2)13-8-6-12(7-9-13)10-21-23-18(25)17(24)22-15-5-3-4-14(19)16(15)20/h3-11H,1-2H3,(H,22,24)(H,23,25)/b21-10-.
What are the key properties of N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide has a molecular weight of 378.26 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 92652543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).