2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

C22H16Cl3N3O3 — CID 92850563

IUPAC2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESO=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H16Cl3N3O3/c23-15-2-1-3-17(10-15)27-21(29)13-31-18-7-4-14(5-8-18)12-26-28-22(30)19-9-6-16(24)11-20(19)25/h1-12H,13H2,(H,27,29)(H,28,30)/b26-12-
InChIKeyACAXGPWGELLZDY-ZRGSRPPYSA-N
MW476.75 g/mol
LogP5.43
Rot. Bonds7

About 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (PubChem CID 92850563) has the molecular formula C22H16Cl3N3O3 and a molecular weight of 476.75 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
PubChem CID92850563
Molecular FormulaC22H16Cl3N3O3
Molecular Weight476.75 g/mol
Exact Mass475.03
IUPAC Name2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESO=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H16Cl3N3O3/c23-15-2-1-3-17(10-15)27-21(29)13-31-18-7-4-14(5-8-18)12-26-28-22(30)19-9-6-16(24)11-20(19)25/h1-12H,13H2,(H,27,29)(H,28,30)/b26-12-
InChIKeyACAXGPWGELLZDY-ZRGSRPPYSA-N
XLogP5.43
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.75
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 94833155
2,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126026470
N-(3-chlorophenyl)-2-[4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5429335
N-(3-chlorophenyl)-2-[4-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 6876847
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126264692
N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 94832281
N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 1105534
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-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262528
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126270674
N-(3-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4578191

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (CID 92850563) is 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The InChIKey is ACAXGPWGELLZDY-ZRGSRPPYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O3/c23-15-2-1-3-17(10-15)27-21(29)13-31-18-7-4-14(5-8-18)12-26-28-22(30)19-9-6-16(24)11-20(19)25/h1-12H,13H2,(H,27,29)(H,28,30)/b26-12-.
What are the key properties of 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide has a molecular weight of 476.75 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 92850563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).