N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide

C16H15BrN2O2 — CID 7670074

IUPACN-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccccc1/C=N\OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-12-5-2-3-6-13(12)10-18-21-11-16(20)19-15-8-4-7-14(17)9-15/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyFGTUCYYXPDZWFT-ZDLGFXPLSA-N
MW347.21 g/mol
LogP3.75
Rot. Bonds5

About N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide

N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide (PubChem CID 7670074) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
PubChem CID7670074
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccccc1/C=N\OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-12-5-2-3-6-13(12)10-18-21-11-16(20)19-15-8-4-7-14(17)9-15/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyFGTUCYYXPDZWFT-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

N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703146
N-(3-ethylphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670270
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-naphthalen-2-ylacetamide
CID 7670176
N-(4-fluorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670162
N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78767132
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7701194
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
N-(3-acetylphenyl)-2-[(E)-(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 16545197
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7703124
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide (CID 7670074) is N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide is Cc1ccccc1/C=N\OCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide?
The InChIKey is FGTUCYYXPDZWFT-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-12-5-2-3-6-13(12)10-18-21-11-16(20)19-15-8-4-7-14(17)9-15/h2-10H,11H2,1H3,(H,19,20)/b18-10-.
What are the key properties of N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide?
N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide 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 N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7670074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).