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

C23H18Cl2N4O4 — CID 94832791

IUPACN'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
SMILESO=C(COc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1
InChIInChI=1S/C23H18Cl2N4O4/c24-19-11-8-17(12-20(19)25)28-22(31)23(32)29-26-13-15-6-9-18(10-7-15)33-14-21(30)27-16-4-2-1-3-5-16/h1-13H,14H2,(H,27,30)(H,28,31)(H,29,32)/b26-13-
InChIKeyDQAVSVGIHHXBNJ-ZMFRSBBQSA-N
MW485.33 g/mol
LogP4.10
Rot. Bonds7

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

N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide (PubChem CID 94832791) has the molecular formula C23H18Cl2N4O4 and a molecular weight of 485.33 g/mol. Its IUPAC name is N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
PubChem CID94832791
Molecular FormulaC23H18Cl2N4O4
Molecular Weight485.33 g/mol
Exact Mass484.07
IUPAC NameN'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
SMILESO=C(COc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1
InChIInChI=1S/C23H18Cl2N4O4/c24-19-11-8-17(12-20(19)25)28-22(31)23(32)29-26-13-15-6-9-18(10-7-15)33-14-21(30)27-16-4-2-1-3-5-16/h1-13H,14H2,(H,27,30)(H,28,31)(H,29,32)/b26-13-
InChIKeyDQAVSVGIHHXBNJ-ZMFRSBBQSA-N
XLogP4.10
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.10
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'-[(E)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 6877114
N-(3-chloro-4-methylphenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126164081
N-(4-butoxyphenyl)-N'-[(Z)-[3-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126167615
N-(3-chloro-4-methylphenyl)-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126160178
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126181768
N-(3-chloro-4-methylphenyl)-N'-[(Z)-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126158309
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126277661
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126008645
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
CID 94832882
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126268511
N-(4-fluorophenyl)-N'-[(Z)-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260706
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 3856543

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide?
The IUPAC name of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide (CID 94832791) is N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide is O=C(COc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1.
What is the InChIKey of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide?
The InChIKey is DQAVSVGIHHXBNJ-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H18Cl2N4O4/c24-19-11-8-17(12-20(19)25)28-22(31)23(32)29-26-13-15-6-9-18(10-7-15)33-14-21(30)27-16-4-2-1-3-5-16/h1-13H,14H2,(H,27,30)(H,28,31)(H,29,32)/b26-13-.
What are the key properties of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide?
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide has a molecular weight of 485.33 g/mol, XLogP of 4.10, 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-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide is sourced from PubChem (CID 94832791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).