3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide

C13H9Br3N2O — CID 107596142

IUPAC3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide
SMILESNc1cc(Br)cc(C(=O)Nc2c(Br)cccc2Br)c1
InChIInChI=1S/C13H9Br3N2O/c14-8-4-7(5-9(17)6-8)13(19)18-12-10(15)2-1-3-11(12)16/h1-6H,17H2,(H,18,19)
InChIKeyFADMEQHHZUVJKZ-UHFFFAOYSA-N
MW448.94 g/mol
LogP4.81
Rot. Bonds2

About 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide

3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide (PubChem CID 107596142) has the molecular formula C13H9Br3N2O and a molecular weight of 448.94 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide
PubChem CID107596142
Molecular FormulaC13H9Br3N2O
Molecular Weight448.94 g/mol
Exact Mass445.83
IUPAC Name3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide
SMILESNc1cc(Br)cc(C(=O)Nc2c(Br)cccc2Br)c1
InChIInChI=1S/C13H9Br3N2O/c14-8-4-7(5-9(17)6-8)13(19)18-12-10(15)2-1-3-11(12)16/h1-6H,17H2,(H,18,19)
InChIKeyFADMEQHHZUVJKZ-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'}

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Related Compounds

3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
2-amino-N-(2,6-dibromophenyl)pyridine-4-carboxamide
CID 107603227
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide
CID 107687612
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
methyl 3-[(3-amino-5-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914531
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
CID 107786866

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide (CID 107596142) is 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide is Nc1cc(Br)cc(C(=O)Nc2c(Br)cccc2Br)c1.
What is the InChIKey of 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide?
The InChIKey is FADMEQHHZUVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3N2O/c14-8-4-7(5-9(17)6-8)13(19)18-12-10(15)2-1-3-11(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide?
3-amino-5-bromo-N-(2,6-dibromophenyl)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 3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide is sourced from PubChem (CID 107596142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).