2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide

C13H9Br3N2O — CID 44586314

IUPAC2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide
SMILESNc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H9Br3N2O/c14-7-2-1-3-9(4-7)18-13(19)10-5-8(15)6-11(16)12(10)17/h1-6H,17H2,(H,18,19)
InChIKeyKOSCGJXGFIRAPQ-UHFFFAOYSA-N
MW448.94 g/mol
LogP4.81
Rot. Bonds2

About 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide

2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide (PubChem CID 44586314) has the molecular formula C13H9Br3N2O and a molecular weight of 448.94 g/mol. Its IUPAC name is 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide.

Molecular Properties

Compound Name2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide
PubChem CID44586314
Molecular FormulaC13H9Br3N2O
Molecular Weight448.94 g/mol
Exact Mass445.83
IUPAC Name2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide
SMILESNc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H9Br3N2O/c14-7-2-1-3-9(4-7)18-13(19)10-5-8(15)6-11(16)12(10)17/h1-6H,17H2,(H,18,19)
InChIKeyKOSCGJXGFIRAPQ-UHFFFAOYSA-N
XLogP4.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3,5-dibromo-N-hydroxybenzamide
CID 13097908
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite
CID 67302853
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide?
The IUPAC name of 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide (CID 44586314) is 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide.
What is the SMILES notation for 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide?
The canonical SMILES for 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide is Nc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide?
The InChIKey is KOSCGJXGFIRAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3N2O/c14-7-2-1-3-9(4-7)18-13(19)10-5-8(15)6-11(16)12(10)17/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide?
2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide has a molecular weight of 448.94 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide is sourced from PubChem (CID 44586314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).