(2-amino-3,5-dibromophenyl)-phenylmethanone

C13H9Br2NO — CID 2749073

IUPAC(2-amino-3,5-dibromophenyl)-phenylmethanone
SMILESNc1c(Br)cc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C13H9Br2NO/c14-9-6-10(12(16)11(15)7-9)13(17)8-4-2-1-3-5-8/h1-7H,16H2
InChIKeyIMLLZDZNMSFUSJ-UHFFFAOYSA-N
MW355.03 g/mol
LogP4.02
Rot. Bonds2

About (2-amino-3,5-dibromophenyl)-phenylmethanone

(2-amino-3,5-dibromophenyl)-phenylmethanone (PubChem CID 2749073) has the molecular formula C13H9Br2NO and a molecular weight of 355.03 g/mol. Its IUPAC name is (2-amino-3,5-dibromophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-3,5-dibromophenyl)-phenylmethanone
PubChem CID2749073
Molecular FormulaC13H9Br2NO
Molecular Weight355.03 g/mol
Exact Mass352.91
IUPAC Name(2-amino-3,5-dibromophenyl)-phenylmethanone
SMILESNc1c(Br)cc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C13H9Br2NO/c14-9-6-10(12(16)11(15)7-9)13(17)8-4-2-1-3-5-8/h1-7H,16H2
InChIKeyIMLLZDZNMSFUSJ-UHFFFAOYSA-N
XLogP4.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.03
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3,5-dibromophenyl)-phenylmethanone?
The IUPAC name of (2-amino-3,5-dibromophenyl)-phenylmethanone (CID 2749073) is (2-amino-3,5-dibromophenyl)-phenylmethanone.
What is the SMILES notation for (2-amino-3,5-dibromophenyl)-phenylmethanone?
The canonical SMILES for (2-amino-3,5-dibromophenyl)-phenylmethanone is Nc1c(Br)cc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-3,5-dibromophenyl)-phenylmethanone?
The InChIKey is IMLLZDZNMSFUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO/c14-9-6-10(12(16)11(15)7-9)13(17)8-4-2-1-3-5-8/h1-7H,16H2.
What are the key properties of (2-amino-3,5-dibromophenyl)-phenylmethanone?
(2-amino-3,5-dibromophenyl)-phenylmethanone has a molecular weight of 355.03 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,5-dibromophenyl)-phenylmethanone is sourced from PubChem (CID 2749073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).