N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide

C19H20ClN3O3 — CID 7665896

IUPACN-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCc1ccc(NC(=O)/C=N\OCC(=O)Nc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C19H20ClN3O3/c1-12-4-6-16(13(2)8-12)22-18(24)10-21-26-11-19(25)23-17-7-5-15(20)9-14(17)3/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)/b21-10-
InChIKeyZYFOUVDVEGCNJZ-FBHDLOMBSA-N
MW373.84 g/mol
LogP3.84
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide

N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide (PubChem CID 7665896) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
PubChem CID7665896
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCc1ccc(NC(=O)/C=N\OCC(=O)Nc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C19H20ClN3O3/c1-12-4-6-16(13(2)8-12)22-18(24)10-21-26-11-19(25)23-17-7-5-15(20)9-14(17)3/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)/b21-10-
InChIKeyZYFOUVDVEGCNJZ-FBHDLOMBSA-N
XLogP3.84
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.84
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-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7665698
2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7665428
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665884
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 7666877
N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701325
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60528918
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705663
(2Z)-N-(2,4-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethoxyimino]acetamide
CID 7666059

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide (CID 7665896) is N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide is Cc1ccc(NC(=O)/C=N\OCC(=O)Nc2ccc(Cl)cc2C)c(C)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide?
The InChIKey is ZYFOUVDVEGCNJZ-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12-4-6-16(13(2)8-12)22-18(24)10-21-26-11-19(25)23-17-7-5-15(20)9-14(17)3/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)/b21-10-.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide?
N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide has a molecular weight of 373.84 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide is sourced from PubChem (CID 7665896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).