N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide

C24H20Cl2N4O4 — CID 126264692

IUPACN'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H20Cl2N4O4/c1-15-5-8-18(26)12-21(15)29-22(31)14-34-20-9-6-16(7-10-20)13-27-30-24(33)23(32)28-19-4-2-3-17(25)11-19/h2-13H,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-13-
InChIKeyUKGMOTXFMGBCCI-WKIKZPBSSA-N
MW499.35 g/mol
LogP4.41
Rot. Bonds7

About N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide

N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide (PubChem CID 126264692) has the molecular formula C24H20Cl2N4O4 and a molecular weight of 499.35 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
PubChem CID126264692
Molecular FormulaC24H20Cl2N4O4
Molecular Weight499.35 g/mol
Exact Mass498.09
IUPAC NameN'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H20Cl2N4O4/c1-15-5-8-18(26)12-21(15)29-22(31)14-34-20-9-6-16(7-10-20)13-27-30-24(33)23(32)28-19-4-2-3-17(25)11-19/h2-13H,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-13-
InChIKeyUKGMOTXFMGBCCI-WKIKZPBSSA-N
XLogP4.41
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.35
LogP ≤ 54.41
H-Bond Donors ≤ 53
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-chlorophenyl)-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126271690
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258955
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126157140
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262528
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
CID 126157880
N-butyl-N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126159531
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832718
N'-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 6893019
N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 94832281
N'-[[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3464017
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126170911
N-(3-chloro-4-methylphenyl)-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126160178

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide?
The IUPAC name of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide (CID 126264692) is N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide is Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide?
The InChIKey is UKGMOTXFMGBCCI-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4/c1-15-5-8-18(26)12-21(15)29-22(31)14-34-20-9-6-16(7-10-20)13-27-30-24(33)23(32)28-19-4-2-3-17(25)11-19/h2-13H,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-13-.
What are the key properties of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide?
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide has a molecular weight of 499.35 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide is sourced from PubChem (CID 126264692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).