2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide

C16H15BrN2O2 — CID 7643958

IUPAC2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C\c2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-12-7-8-15(14(17)9-12)19-16(20)11-21-18-10-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyIBAZZKFEIOIKKE-ZDLGFXPLSA-N
MW347.21 g/mol
LogP3.75
Rot. Bonds5

About 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide

2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 7643958) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID7643958
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C\c2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-12-7-8-15(14(17)9-12)19-16(20)11-21-18-10-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyIBAZZKFEIOIKKE-ZDLGFXPLSA-N
XLogP3.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.75
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

2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860744
N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705663
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834241
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
N-(2-chloro-4-methylphenyl)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7698913
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (Z)-2-cyano-3-phenylprop-2-enoate
CID 2407192
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7705403
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233343
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide (CID 7643958) is 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CO/N=C\c2ccccc2)c(Br)c1.
What is the InChIKey of 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is IBAZZKFEIOIKKE-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-12-7-8-15(14(17)9-12)19-16(20)11-21-18-10-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-10-.
What are the key properties of 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide?
2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 347.21 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 7643958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).