(4-aminophenyl)-(2,4-dibromophenyl)methanone

C13H9Br2NO — CID 107957044

IUPAC(4-aminophenyl)-(2,4-dibromophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C13H9Br2NO/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7H,16H2
InChIKeyDXPPNBDNOUEIMK-UHFFFAOYSA-N
MW355.03 g/mol
LogP4.02
Rot. Bonds2

About (4-aminophenyl)-(2,4-dibromophenyl)methanone

(4-aminophenyl)-(2,4-dibromophenyl)methanone (PubChem CID 107957044) has the molecular formula C13H9Br2NO and a molecular weight of 355.03 g/mol. Its IUPAC name is (4-aminophenyl)-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2,4-dibromophenyl)methanone
PubChem CID107957044
Molecular FormulaC13H9Br2NO
Molecular Weight355.03 g/mol
Exact Mass352.91
IUPAC Name(4-aminophenyl)-(2,4-dibromophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C13H9Br2NO/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7H,16H2
InChIKeyDXPPNBDNOUEIMK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
(3-aminophenyl)-(2,4-dibromophenyl)methanone
CID 141034944
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107944745
2,4-dibromobenzoic acid
CID 11896
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one
CID 46307736
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
(2,4-dibromophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 107949853

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2,4-dibromophenyl)methanone?
The IUPAC name of (4-aminophenyl)-(2,4-dibromophenyl)methanone (CID 107957044) is (4-aminophenyl)-(2,4-dibromophenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2,4-dibromophenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2,4-dibromophenyl)methanone is Nc1ccc(C(=O)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of (4-aminophenyl)-(2,4-dibromophenyl)methanone?
The InChIKey is DXPPNBDNOUEIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7H,16H2.
What are the key properties of (4-aminophenyl)-(2,4-dibromophenyl)methanone?
(4-aminophenyl)-(2,4-dibromophenyl)methanone 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 (4-aminophenyl)-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 107957044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).