N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide

C15H13BrN2O2 — CID 5414432

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C\c1ccccc1Br
InChIInChI=1S/C15H13BrN2O2/c16-14-9-5-4-6-12(14)10-17-18-15(19)11-20-13-7-2-1-3-8-13/h1-10H,11H2,(H,18,19)/b17-10-
InChIKeyRJMOBTMQMALOGJ-YVLHZVERSA-N
MW333.19 g/mol
LogP2.98
Rot. Bonds5

About N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide

N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide (PubChem CID 5414432) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
PubChem CID5414432
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C\c1ccccc1Br
InChIInChI=1S/C15H13BrN2O2/c16-14-9-5-4-6-12(14)10-17-18-15(19)11-20-13-7-2-1-3-8-13/h1-10H,11H2,(H,18,19)/b17-10-
InChIKeyRJMOBTMQMALOGJ-YVLHZVERSA-N
XLogP2.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.98
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-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992144
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5417368
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254
2-(2-bromophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135541771
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 4561292
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 9317278

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide (CID 5414432) is N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide is O=C(COc1ccccc1)N/N=C\c1ccccc1Br.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is RJMOBTMQMALOGJ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-14-9-5-4-6-12(14)10-17-18-15(19)11-20-13-7-2-1-3-8-13/h1-10H,11H2,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide?
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide has a molecular weight of 333.19 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 5414432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).