2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide

C15H14Br2N2O2 — CID 115743088

IUPAC2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C15H14Br2N2O2/c16-13-6-1-10(7-14(13)17)8-19-11-2-4-12(5-3-11)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyKXLBMOKZNSEUGQ-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.69
Rot. Bonds6

About 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide

2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide (PubChem CID 115743088) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
PubChem CID115743088
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C15H14Br2N2O2/c16-13-6-1-10(7-14(13)17)8-19-11-2-4-12(5-3-11)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyKXLBMOKZNSEUGQ-UHFFFAOYSA-N
XLogP3.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide
CID 43736688
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 61390811
2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
CID 115876092
[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol
CID 113483314
2-(3-amino-4-bromophenoxy)acetamide
CID 97033765
2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide
CID 2986518

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide (CID 115743088) is 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide is NC(=O)COc1ccc(NCc2ccc(Br)c(Br)c2)cc1.
What is the InChIKey of 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide?
The InChIKey is KXLBMOKZNSEUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-13-6-1-10(7-14(13)17)8-19-11-2-4-12(5-3-11)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide?
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide has a molecular weight of 414.10 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 115743088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).