N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide

C26H26ClN3O6 — CID 6870235

IUPACN-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc(OC)c1OC
InChIInChI=1S/C26H26ClN3O6/c1-16-20(27)6-5-7-21(16)29-26(32)18-8-10-19(11-9-18)36-15-24(31)30-28-14-17-12-22(33-2)25(35-4)23(13-17)34-3/h5-14H,15H2,1-4H3,(H,29,32)(H,30,31)/b28-14+
InChIKeyFENMXCPMQYYAAM-CCVNUDIWSA-N
MW511.96 g/mol
LogP4.46
Rot. Bonds10

About N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide

N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide (PubChem CID 6870235) has the molecular formula C26H26ClN3O6 and a molecular weight of 511.96 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide
PubChem CID6870235
Molecular FormulaC26H26ClN3O6
Molecular Weight511.96 g/mol
Exact Mass511.15
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc(OC)c1OC
InChIInChI=1S/C26H26ClN3O6/c1-16-20(27)6-5-7-21(16)29-26(32)18-8-10-19(11-9-18)36-15-24(31)30-28-14-17-12-22(33-2)25(35-4)23(13-17)34-3/h5-14H,15H2,1-4H3,(H,29,32)(H,30,31)/b28-14+
InChIKeyFENMXCPMQYYAAM-CCVNUDIWSA-N
XLogP4.46
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.96
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(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-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870238
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870236
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870223
2-(4-tert-butylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898637
4-chloro-N-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126270773
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126160920
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316108
[3-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 1138454
4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
CID 1191658

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide (CID 6870235) is N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide is COc1cc(/C=N/NC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc(OC)c1OC.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide?
The InChIKey is FENMXCPMQYYAAM-CCVNUDIWSA-N. The full InChI is InChI=1S/C26H26ClN3O6/c1-16-20(27)6-5-7-21(16)29-26(32)18-8-10-19(11-9-18)36-15-24(31)30-28-14-17-12-22(33-2)25(35-4)23(13-17)34-3/h5-14H,15H2,1-4H3,(H,29,32)(H,30,31)/b28-14+.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide?
N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide has a molecular weight of 511.96 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide is sourced from PubChem (CID 6870235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).