(2-amino-3,5-dibromophenyl)methyl benzoate

C14H11Br2NO2 — CID 154191248

IUPAC(2-amino-3,5-dibromophenyl)methyl benzoate
SMILESNc1c(Br)cc(Br)cc1COC(=O)c1ccccc1
InChIInChI=1S/C14H11Br2NO2/c15-11-6-10(13(17)12(16)7-11)8-19-14(18)9-4-2-1-3-5-9/h1-7H,8,17H2
InChIKeyOPSGXDRGDXGWRZ-UHFFFAOYSA-N
MW385.06 g/mol
LogP4.15
Rot. Bonds3

About (2-amino-3,5-dibromophenyl)methyl benzoate

(2-amino-3,5-dibromophenyl)methyl benzoate (PubChem CID 154191248) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is (2-amino-3,5-dibromophenyl)methyl benzoate.

Molecular Properties

Compound Name(2-amino-3,5-dibromophenyl)methyl benzoate
PubChem CID154191248
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name(2-amino-3,5-dibromophenyl)methyl benzoate
SMILESNc1c(Br)cc(Br)cc1COC(=O)c1ccccc1
InChIInChI=1S/C14H11Br2NO2/c15-11-6-10(13(17)12(16)7-11)8-19-14(18)9-4-2-1-3-5-9/h1-7H,8,17H2
InChIKeyOPSGXDRGDXGWRZ-UHFFFAOYSA-N
XLogP4.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[(3,5-dibromo-2-hydroxyphenyl)methyl] benzene-1,3-dicarboxylate
CID 176845683
[4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexyl] benzoate
CID 132520170
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl benzoate
CID 7868386
(2,4,6-tribromophenyl) benzoate
CID 13070430
benzyl 4-bromobenzoate
CID 603177
benzyl benzoate
CID 2345
[3,5-bis(bromomethyl)phenyl]methyl benzoate
CID 102160107
(2-bromophenyl)methyl 4-chlorobenzoate
CID 102346194
(2-bromophenyl)methyl 3-sulfanylbenzoate
CID 107019010
(3-bromophenyl)methyl 2-amino-3,5-dibromobenzoate
CID 82823318
(3-bromo-1,2-oxazol-5-yl)methyl benzoate
CID 52951006
(2-bromophenyl)methyl 2-aminopyridine-4-carboxylate
CID 82824073

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,5-dibromophenyl)methyl benzoate?
The IUPAC name of (2-amino-3,5-dibromophenyl)methyl benzoate (CID 154191248) is (2-amino-3,5-dibromophenyl)methyl benzoate.
What is the SMILES notation for (2-amino-3,5-dibromophenyl)methyl benzoate?
The canonical SMILES for (2-amino-3,5-dibromophenyl)methyl benzoate is Nc1c(Br)cc(Br)cc1COC(=O)c1ccccc1.
What is the InChIKey of (2-amino-3,5-dibromophenyl)methyl benzoate?
The InChIKey is OPSGXDRGDXGWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c15-11-6-10(13(17)12(16)7-11)8-19-14(18)9-4-2-1-3-5-9/h1-7H,8,17H2.
What are the key properties of (2-amino-3,5-dibromophenyl)methyl benzoate?
(2-amino-3,5-dibromophenyl)methyl benzoate has a molecular weight of 385.06 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,5-dibromophenyl)methyl benzoate is sourced from PubChem (CID 154191248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).