2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide

C19H20ClN3O4 — CID 7666877

IUPAC2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H20ClN3O4/c1-12-4-6-15(8-13(12)2)22-19(25)11-27-21-10-18(24)23-16-9-14(20)5-7-17(16)26-3/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24)/b21-10-
InChIKeyZUSUNZAJWJSINL-FBHDLOMBSA-N
MW389.84 g/mol
LogP3.55
Rot. Bonds7

About 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide

2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide (PubChem CID 7666877) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
PubChem CID7666877
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H20ClN3O4/c1-12-4-6-15(8-13(12)2)22-19(25)11-27-21-10-18(24)23-16-9-14(20)5-7-17(16)26-3/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24)/b21-10-
InChIKeyZUSUNZAJWJSINL-FBHDLOMBSA-N
XLogP3.55
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.55
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'}

Analyze 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide 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

2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide
CID 7666973
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666981
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666986
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide
CID 7666999
N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665896
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7667186
(2Z)-N-(5-chloro-2-methoxyphenyl)-2-phenylmethoxyiminoacetamide
CID 7666843
N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
CID 108955242
(2Z)-N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methylphenoxy)ethoxyimino]acetamide
CID 7667218
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9355358
N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide
CID 42967676
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7700978

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide (CID 7666877) is 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is ZUSUNZAJWJSINL-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-12-4-6-15(8-13(12)2)22-19(25)11-27-21-10-18(24)23-16-9-14(20)5-7-17(16)26-3/h4-10H,11H2,1-3H3,(H,22,25)(H,23,24)/b21-10-.
What are the key properties of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide?
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 389.84 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 7666877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).