N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

C26H23Cl2IN4O6 — CID 126173651

IUPACN-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C26H23Cl2IN4O6/c1-3-38-21-12-15(13-30-33-26(36)25(35)32-20-6-4-5-18(27)23(20)28)11-19(29)24(21)39-14-22(34)31-16-7-9-17(37-2)10-8-16/h4-13H,3,14H2,1-2H3,(H,31,34)(H,32,35)(H,33,36)/b30-13-
InChIKeyIOEGBGSJPYBLJK-YNFMAFFXSA-N
MW685.30 g/mol
LogP5.11
Rot. Bonds10

About N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126173651) has the molecular formula C26H23Cl2IN4O6 and a molecular weight of 685.30 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID126173651
Molecular FormulaC26H23Cl2IN4O6
Molecular Weight685.30 g/mol
Exact Mass684.00
IUPAC NameN-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C26H23Cl2IN4O6/c1-3-38-21-12-15(13-30-33-26(36)25(35)32-20-6-4-5-18(27)23(20)28)11-19(29)24(21)39-14-22(34)31-16-7-9-17(37-2)10-8-16/h4-13H,3,14H2,1-2H3,(H,31,34)(H,32,35)(H,33,36)/b30-13-
InChIKeyIOEGBGSJPYBLJK-YNFMAFFXSA-N
XLogP5.11
TPSA127.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.30
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126161481
N-(2,3-dichlorophenyl)-N'-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]propanediamide
CID 3909098
N'-[(Z)-[3-chloro-5-ethoxy-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126163255
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126179615
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126164555
N-(2,3-dichlorophenyl)-N'-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylideneamino]propanediamide
CID 4995600
N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126172100
N'-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3929019
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126163990
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126166385
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 135554219
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126166506

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 126173651) is N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is CCOc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is IOEGBGSJPYBLJK-YNFMAFFXSA-N. The full InChI is InChI=1S/C26H23Cl2IN4O6/c1-3-38-21-12-15(13-30-33-26(36)25(35)32-20-6-4-5-18(27)23(20)28)11-19(29)24(21)39-14-22(34)31-16-7-9-17(37-2)10-8-16/h4-13H,3,14H2,1-2H3,(H,31,34)(H,32,35)(H,33,36)/b30-13-.
What are the key properties of N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 685.30 g/mol, XLogP of 5.11, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126173651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).