N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide

C15H12BrFN2O2 — CID 2695035

IUPACN-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NN=Cc1ccccc1Br
InChIInChI=1S/C15H12BrFN2O2/c16-12-6-2-1-5-11(12)9-18-19-15(20)10-21-14-8-4-3-7-13(14)17/h1-9H,10H2,(H,19,20)
InChIKeyHTGUGJXXKRSSHX-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.12
Rot. Bonds5

About N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide

N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide (PubChem CID 2695035) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
PubChem CID2695035
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC NameN-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NN=Cc1ccccc1Br
InChIInChI=1S/C15H12BrFN2O2/c16-12-6-2-1-5-11(12)9-18-19-15(20)10-21-14-8-4-3-7-13(14)17/h1-9H,10H2,(H,19,20)
InChIKeyHTGUGJXXKRSSHX-UHFFFAOYSA-N
XLogP3.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.12
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-[(E)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6911092
2-(2-bromophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135541771
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 9317278
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 135569525
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317033
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide (CID 2695035) is N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NN=Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
The InChIKey is HTGUGJXXKRSSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-12-6-2-1-5-11(12)9-18-19-15(20)10-21-14-8-4-3-7-13(14)17/h1-9H,10H2,(H,19,20).
What are the key properties of N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide?
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide has a molecular weight of 351.18 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 2695035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).