N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide

C22H20ClN3O3 — CID 7232445

IUPACN-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide
SMILESCOc1cc(/C=N\Nc2ccccc2)ccc1OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O3/c1-28-21-12-16(14-24-26-18-7-3-2-4-8-18)10-11-20(21)29-15-22(27)25-19-9-5-6-17(23)13-19/h2-14,26H,15H2,1H3,(H,25,27)/b24-14-
InChIKeyTYMWQYPOOUXQCK-OYKKKHCWSA-N
MW409.87 g/mol
LogP4.81
Rot. Bonds8

About N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide

N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide (PubChem CID 7232445) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide
PubChem CID7232445
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide
SMILESCOc1cc(/C=N\Nc2ccccc2)ccc1OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O3/c1-28-21-12-16(14-24-26-18-7-3-2-4-8-18)10-11-20(21)29-15-22(27)25-19-9-5-6-17(23)13-19/h2-14,26H,15H2,1H3,(H,25,27)/b24-14-
InChIKeyTYMWQYPOOUXQCK-OYKKKHCWSA-N
XLogP4.81
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-chlorophenyl)-2-[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 110341240
2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 110842113
methyl 2-[[2-[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetyl]amino]benzoate
CID 169383486
4-[(2E)-2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 45466645
2-[2-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 40572838
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
2-[4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 110842433
N'-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 4654054
2-[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126014913
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126278758
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126160449

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide (CID 7232445) is N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide is COc1cc(/C=N\Nc2ccccc2)ccc1OCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide?
The InChIKey is TYMWQYPOOUXQCK-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-28-21-12-16(14-24-26-18-7-3-2-4-8-18)10-11-20(21)29-15-22(27)25-19-9-5-6-17(23)13-19/h2-14,26H,15H2,1H3,(H,25,27)/b24-14-.
What are the key properties of N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide?
N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide has a molecular weight of 409.87 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 7232445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).