N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide

C23H18Cl3N3O3 — CID 6870236

IUPACN-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl3N3O3/c1-14-19(25)3-2-4-21(14)28-23(31)15-6-9-18(10-7-15)32-13-22(30)29-27-12-16-5-8-17(24)11-20(16)26/h2-12H,13H2,1H3,(H,28,31)(H,29,30)/b27-12+
InChIKeyOGWWEOPMOGCYKY-KKMKTNMSSA-N
MW490.77 g/mol
LogP5.74
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide

N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide (PubChem CID 6870236) has the molecular formula C23H18Cl3N3O3 and a molecular weight of 490.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
PubChem CID6870236
Molecular FormulaC23H18Cl3N3O3
Molecular Weight490.77 g/mol
Exact Mass489.04
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H18Cl3N3O3/c1-14-19(25)3-2-4-21(14)28-23(31)15-6-9-18(10-7-15)32-13-22(30)29-27-12-16-5-8-17(24)11-20(16)26/h2-12H,13H2,1H3,(H,28,31)(H,29,30)/b27-12+
InChIKeyOGWWEOPMOGCYKY-KKMKTNMSSA-N
XLogP5.74
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.77
LogP ≤ 55.74
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

N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870238
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870223
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135572064
N-(3-chloro-2-methylphenyl)-4-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 1194234
N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide
CID 6870235
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899034
4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
CID 1191658
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 1179092
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 6287016

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide (CID 6870236) is N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The InChIKey is OGWWEOPMOGCYKY-KKMKTNMSSA-N. The full InChI is InChI=1S/C23H18Cl3N3O3/c1-14-19(25)3-2-4-21(14)28-23(31)15-6-9-18(10-7-15)32-13-22(30)29-27-12-16-5-8-17(24)11-20(16)26/h2-12H,13H2,1H3,(H,28,31)(H,29,30)/b27-12+.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide has a molecular weight of 490.77 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 6870236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).