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

C13H9Br2NO — CID 141034944

IUPAC(3-aminophenyl)-(2,4-dibromophenyl)methanone
SMILESNc1cccc(C(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H9Br2NO/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7H,16H2
InChIKeyQQDQASCVMBKLEZ-UHFFFAOYSA-N
MW355.03 g/mol
LogP4.02
Rot. Bonds2

About (3-aminophenyl)-(2,4-dibromophenyl)methanone

(3-aminophenyl)-(2,4-dibromophenyl)methanone (PubChem CID 141034944) has the molecular formula C13H9Br2NO and a molecular weight of 355.03 g/mol. Its IUPAC name is (3-aminophenyl)-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(2,4-dibromophenyl)methanone
PubChem CID141034944
Molecular FormulaC13H9Br2NO
Molecular Weight355.03 g/mol
Exact Mass352.91
IUPAC Name(3-aminophenyl)-(2,4-dibromophenyl)methanone
SMILESNc1cccc(C(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H9Br2NO/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7H,16H2
InChIKeyQQDQASCVMBKLEZ-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

(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 107944669
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874
(3-aminophenyl)-phenylmethanone
CID 17817
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
CID 86124935

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2,4-dibromophenyl)methanone?
The IUPAC name of (3-aminophenyl)-(2,4-dibromophenyl)methanone (CID 141034944) is (3-aminophenyl)-(2,4-dibromophenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(2,4-dibromophenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(2,4-dibromophenyl)methanone is Nc1cccc(C(=O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of (3-aminophenyl)-(2,4-dibromophenyl)methanone?
The InChIKey is QQDQASCVMBKLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7H,16H2.
What are the key properties of (3-aminophenyl)-(2,4-dibromophenyl)methanone?
(3-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 (3-aminophenyl)-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 141034944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).