2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide

C15H11BrF2N2O2 — CID 9359053

IUPAC2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1)N/N=C\c1c(F)cccc1F
InChIInChI=1S/C15H11BrF2N2O2/c16-10-4-6-11(7-5-10)22-9-15(21)20-19-8-12-13(17)2-1-3-14(12)18/h1-8H,9H2,(H,20,21)/b19-8-
InChIKeySUMHSULGAJPUNE-UWVJOHFNSA-N
MW369.17 g/mol
LogP3.26
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide (PubChem CID 9359053) has the molecular formula C15H11BrF2N2O2 and a molecular weight of 369.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
PubChem CID9359053
Molecular FormulaC15H11BrF2N2O2
Molecular Weight369.17 g/mol
Exact Mass368.00
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1)N/N=C\c1c(F)cccc1F
InChIInChI=1S/C15H11BrF2N2O2/c16-10-4-6-11(7-5-10)22-9-15(21)20-19-8-12-13(17)2-1-3-14(12)18/h1-8H,9H2,(H,20,21)/b19-8-
InChIKeySUMHSULGAJPUNE-UWVJOHFNSA-N
XLogP3.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 53.26
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-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6899366
2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 1245916
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9315633
2-(4-tert-butylphenoxy)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 5450012
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5417368
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 42995419
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
2-(4-bromophenoxy)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136749235

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide (CID 9359053) is 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide is O=C(COc1ccc(Br)cc1)N/N=C\c1c(F)cccc1F.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide?
The InChIKey is SUMHSULGAJPUNE-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H11BrF2N2O2/c16-10-4-6-11(7-5-10)22-9-15(21)20-19-8-12-13(17)2-1-3-14(12)18/h1-8H,9H2,(H,20,21)/b19-8-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide has a molecular weight of 369.17 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 9359053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).