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

C25H22Cl2N4O4 — CID 126276766

IUPACN-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C25H22Cl2N4O4/c1-2-17-6-3-4-8-20(17)29-22(32)15-35-18-12-10-16(11-13-18)14-28-31-25(34)24(33)30-21-9-5-7-19(26)23(21)27/h3-14H,2,15H2,1H3,(H,29,32)(H,30,33)(H,31,34)/b28-14-
InChIKeyRBQIUFWJWJTOIJ-MUXKCCDJSA-N
MW513.38 g/mol
LogP4.66
Rot. Bonds8

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

N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126276766) has the molecular formula C25H22Cl2N4O4 and a molecular weight of 513.38 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID126276766
Molecular FormulaC25H22Cl2N4O4
Molecular Weight513.38 g/mol
Exact Mass512.10
IUPAC NameN-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C25H22Cl2N4O4/c1-2-17-6-3-4-8-20(17)29-22(32)15-35-18-12-10-16(11-13-18)14-28-31-25(34)24(33)30-21-9-5-7-19(26)23(21)27/h3-14H,2,15H2,1H3,(H,29,32)(H,30,33)(H,31,34)/b28-14-
InChIKeyRBQIUFWJWJTOIJ-MUXKCCDJSA-N
XLogP4.66
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.38
LogP ≤ 54.66
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'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265471
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265333
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 41020309
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126177044
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-(2,3-dichlorophenyl)oxamide
CID 126157140
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 94832973
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989336
N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267880
N-(2-ethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988931
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126273567
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126160920

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 126276766) is N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is CCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is RBQIUFWJWJTOIJ-MUXKCCDJSA-N. The full InChI is InChI=1S/C25H22Cl2N4O4/c1-2-17-6-3-4-8-20(17)29-22(32)15-35-18-12-10-16(11-13-18)14-28-31-25(34)24(33)30-21-9-5-7-19(26)23(21)27/h3-14H,2,15H2,1H3,(H,29,32)(H,30,33)(H,31,34)/b28-14-.
What are the key properties of N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 513.38 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126276766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).