N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide

C24H20Cl2N4O4 — CID 126173978

IUPACN'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H20Cl2N4O4/c1-15-5-4-7-18(11-15)28-23(32)24(33)30-27-13-16-6-2-3-8-21(16)34-14-22(31)29-20-10-9-17(25)12-19(20)26/h2-13H,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-13-
InChIKeyJGNOLVQUEIZVOE-WKIKZPBSSA-N
MW499.35 g/mol
LogP4.41
Rot. Bonds7

About N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide

N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide (PubChem CID 126173978) has the molecular formula C24H20Cl2N4O4 and a molecular weight of 499.35 g/mol. Its IUPAC name is N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
PubChem CID126173978
Molecular FormulaC24H20Cl2N4O4
Molecular Weight499.35 g/mol
Exact Mass498.09
IUPAC NameN'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H20Cl2N4O4/c1-15-5-4-7-18(11-15)28-23(32)24(33)30-27-13-16-6-2-3-8-21(16)34-14-22(31)29-20-10-9-17(25)12-19(20)26/h2-13H,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-13-
InChIKeyJGNOLVQUEIZVOE-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)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258874
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126175885
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159885
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126156631
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126173463
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159508
N'-[(Z)-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126162680
N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126257777
N-(3-chloro-4-methylphenyl)-N'-[[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 3928774
N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126161723
N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126271021
N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126265929

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide (CID 126173978) is N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide?
The InChIKey is JGNOLVQUEIZVOE-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4/c1-15-5-4-7-18(11-15)28-23(32)24(33)30-27-13-16-6-2-3-8-21(16)34-14-22(31)29-20-10-9-17(25)12-19(20)26/h2-13H,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-13-.
What are the key properties of N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide?
N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)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)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 126173978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).