2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide

C13H12Br2N2O3 — CID 62083592

IUPAC2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cc(Br)c(Br)o2)cc1
InChIInChI=1S/C13H12Br2N2O3/c14-11-5-10(20-13(11)15)6-17-8-1-3-9(4-2-8)19-7-12(16)18/h1-5,17H,6-7H2,(H2,16,18)
InChIKeyZQGXTKPFAOOTFW-UHFFFAOYSA-N
MW404.06 g/mol
LogP3.28
Rot. Bonds6

About 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide

2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide (PubChem CID 62083592) has the molecular formula C13H12Br2N2O3 and a molecular weight of 404.06 g/mol. Its IUPAC name is 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
PubChem CID62083592
Molecular FormulaC13H12Br2N2O3
Molecular Weight404.06 g/mol
Exact Mass401.92
IUPAC Name2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cc(Br)c(Br)o2)cc1
InChIInChI=1S/C13H12Br2N2O3/c14-11-5-10(20-13(11)15)6-17-8-1-3-9(4-2-8)19-7-12(16)18/h1-5,17H,6-7H2,(H2,16,18)
InChIKeyZQGXTKPFAOOTFW-UHFFFAOYSA-N
XLogP3.28
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.06
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 61390811
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 62086062
2-(3-amino-4-bromophenoxy)acetamide
CID 97033765
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
2-[(4,5-dibromofuran-2-yl)methylamino]acetamide
CID 62083921
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide
CID 115761971
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide (CID 62083592) is 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide is NC(=O)COc1ccc(NCc2cc(Br)c(Br)o2)cc1.
What is the InChIKey of 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide?
The InChIKey is ZQGXTKPFAOOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O3/c14-11-5-10(20-13(11)15)6-17-8-1-3-9(4-2-8)19-7-12(16)18/h1-5,17H,6-7H2,(H2,16,18).
What are the key properties of 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide?
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide has a molecular weight of 404.06 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 62083592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).