3-amino-4-(2,4-dibromophenoxy)benzamide

C13H10Br2N2O2 — CID 64720185

IUPAC3-amino-4-(2,4-dibromophenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(Br)cc2Br)c(N)c1
InChIInChI=1S/C13H10Br2N2O2/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyXOJGOQACDSIIQK-UHFFFAOYSA-N
MW386.04 g/mol
LogP3.68
Rot. Bonds3

About 3-amino-4-(2,4-dibromophenoxy)benzamide

3-amino-4-(2,4-dibromophenoxy)benzamide (PubChem CID 64720185) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 3-amino-4-(2,4-dibromophenoxy)benzamide.

Molecular Properties

Compound Name3-amino-4-(2,4-dibromophenoxy)benzamide
PubChem CID64720185
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name3-amino-4-(2,4-dibromophenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(Br)cc2Br)c(N)c1
InChIInChI=1S/C13H10Br2N2O2/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyXOJGOQACDSIIQK-UHFFFAOYSA-N
XLogP3.68
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 82786342
4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
CID 63356585
4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide
CID 64720406
3-amino-4-(2,4-dichlorophenoxy)benzamide
CID 43448525
3-amino-4-(2-chlorophenoxy)benzamide
CID 43382705
1-[3-amino-4-(2-bromo-4-chlorophenoxy)phenyl]ethanone
CID 170632658
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
3-amino-4-naphthalen-1-yloxybenzamide
CID 43448527
3-amino-4-(4-chloro-2-methylphenoxy)benzamide
CID 43448530

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,4-dibromophenoxy)benzamide?
The IUPAC name of 3-amino-4-(2,4-dibromophenoxy)benzamide (CID 64720185) is 3-amino-4-(2,4-dibromophenoxy)benzamide.
What is the SMILES notation for 3-amino-4-(2,4-dibromophenoxy)benzamide?
The canonical SMILES for 3-amino-4-(2,4-dibromophenoxy)benzamide is NC(=O)c1ccc(Oc2ccc(Br)cc2Br)c(N)c1.
What is the InChIKey of 3-amino-4-(2,4-dibromophenoxy)benzamide?
The InChIKey is XOJGOQACDSIIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6H,16H2,(H2,17,18).
What are the key properties of 3-amino-4-(2,4-dibromophenoxy)benzamide?
3-amino-4-(2,4-dibromophenoxy)benzamide has a molecular weight of 386.04 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,4-dibromophenoxy)benzamide is sourced from PubChem (CID 64720185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).