N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

C17H17BrN2O2 — CID 7705663

IUPACN-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12-3-5-14(6-4-12)10-19-22-11-17(21)20-16-8-7-15(18)9-13(16)2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyCAHSATPBBZKZKD-GRSHGNNSSA-N
MW361.24 g/mol
LogP4.06
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (PubChem CID 7705663) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
PubChem CID7705663
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrN2O2/c1-12-3-5-14(6-4-12)10-19-22-11-17(21)20-16-8-7-15(18)9-13(16)2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyCAHSATPBBZKZKD-GRSHGNNSSA-N
XLogP4.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide
CID 7643958
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 3371511
2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7665698
N-(2-chloro-4-methylphenyl)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7698913
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926110
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705226
N-(5-methyl-1,2-oxazol-3-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705533
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7705403
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871
2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide
CID 23004809

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (CID 7705663) is N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is Cc1ccc(/C=N\OCC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The InChIKey is CAHSATPBBZKZKD-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12-3-5-14(6-4-12)10-19-22-11-17(21)20-16-8-7-15(18)9-13(16)2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide has a molecular weight of 361.24 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7705663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).