4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide

C14H12Br2N2O2 — CID 82867322

IUPAC4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(N)c(Br)c2)c1
InChIInChI=1S/C14H12Br2N2O2/c1-20-11-6-9(15)5-10(7-11)18-14(19)8-2-3-13(17)12(16)4-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyROUBABGLYURRGN-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.05
Rot. Bonds3

About 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide

4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide (PubChem CID 82867322) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
PubChem CID82867322
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(N)c(Br)c2)c1
InChIInChI=1S/C14H12Br2N2O2/c1-20-11-6-9(15)5-10(7-11)18-14(19)8-2-3-13(17)12(16)4-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyROUBABGLYURRGN-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)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

3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
CID 82859642
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
CID 103706313
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447
N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
CID 110604740

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide (CID 82867322) is 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide is COc1cc(Br)cc(NC(=O)c2ccc(N)c(Br)c2)c1.
What is the InChIKey of 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide?
The InChIKey is ROUBABGLYURRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-20-11-6-9(15)5-10(7-11)18-14(19)8-2-3-13(17)12(16)4-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide?
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide has a molecular weight of 400.07 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide is sourced from PubChem (CID 82867322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).