2,4-diamino-N-(2,6-dibromophenyl)benzamide

C13H11Br2N3O — CID 107596119

IUPAC2,4-diamino-N-(2,6-dibromophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2c(Br)cccc2Br)c(N)c1
InChIInChI=1S/C13H11Br2N3O/c14-9-2-1-3-10(15)12(9)18-13(19)8-5-4-7(16)6-11(8)17/h1-6H,16-17H2,(H,18,19)
InChIKeyBYHJUTYIZMUWLO-UHFFFAOYSA-N
MW385.06 g/mol
LogP3.63
Rot. Bonds2

About 2,4-diamino-N-(2,6-dibromophenyl)benzamide

2,4-diamino-N-(2,6-dibromophenyl)benzamide (PubChem CID 107596119) has the molecular formula C13H11Br2N3O and a molecular weight of 385.06 g/mol. Its IUPAC name is 2,4-diamino-N-(2,6-dibromophenyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(2,6-dibromophenyl)benzamide
PubChem CID107596119
Molecular FormulaC13H11Br2N3O
Molecular Weight385.06 g/mol
Exact Mass382.93
IUPAC Name2,4-diamino-N-(2,6-dibromophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2c(Br)cccc2Br)c(N)c1
InChIInChI=1S/C13H11Br2N3O/c14-9-2-1-3-10(15)12(9)18-13(19)8-5-4-7(16)6-11(8)17/h1-6H,16-17H2,(H,18,19)
InChIKeyBYHJUTYIZMUWLO-UHFFFAOYSA-N
XLogP3.63
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-diamino-N-(2,6-dibromophenyl)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

2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
CID 107596138
2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
CID 61093960
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
2,4-diamino-N-(3-iodophenyl)benzamide
CID 61095527
3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide
CID 107596142
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107466376
2,4-diamino-N-(3-ethynylphenyl)benzamide
CID 61117104
2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 61092674
2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide
CID 107599647

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(2,6-dibromophenyl)benzamide?
The IUPAC name of 2,4-diamino-N-(2,6-dibromophenyl)benzamide (CID 107596119) is 2,4-diamino-N-(2,6-dibromophenyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(2,6-dibromophenyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(2,6-dibromophenyl)benzamide is Nc1ccc(C(=O)Nc2c(Br)cccc2Br)c(N)c1.
What is the InChIKey of 2,4-diamino-N-(2,6-dibromophenyl)benzamide?
The InChIKey is BYHJUTYIZMUWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O/c14-9-2-1-3-10(15)12(9)18-13(19)8-5-4-7(16)6-11(8)17/h1-6H,16-17H2,(H,18,19).
What are the key properties of 2,4-diamino-N-(2,6-dibromophenyl)benzamide?
2,4-diamino-N-(2,6-dibromophenyl)benzamide has a molecular weight of 385.06 g/mol, XLogP of 3.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(2,6-dibromophenyl)benzamide is sourced from PubChem (CID 107596119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).