3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide

C15H14Br2N2O — CID 107873022

IUPAC3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(Br)c(NC(=O)c2cc(Br)cc(N)c2C)c1
InChIInChI=1S/C15H14Br2N2O/c1-8-3-4-12(17)14(5-8)19-15(20)11-6-10(16)7-13(18)9(11)2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeySSQWWCNDZXPKLB-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.66
Rot. Bonds2

About 3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide

3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide (PubChem CID 107873022) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
PubChem CID107873022
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(Br)c(NC(=O)c2cc(Br)cc(N)c2C)c1
InChIInChI=1S/C15H14Br2N2O/c1-8-3-4-12(17)14(5-8)19-15(20)11-6-10(16)7-13(18)9(11)2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeySSQWWCNDZXPKLB-UHFFFAOYSA-N
XLogP4.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.66
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-amino-5-bromo-N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 107872142
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 107872035
3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 107872334
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 82766729

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide (CID 107873022) is 3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide is Cc1ccc(Br)c(NC(=O)c2cc(Br)cc(N)c2C)c1.
What is the InChIKey of 3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide?
The InChIKey is SSQWWCNDZXPKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-8-3-4-12(17)14(5-8)19-15(20)11-6-10(16)7-13(18)9(11)2/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide?
3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide has a molecular weight of 398.10 g/mol, XLogP of 4.66, 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-bromo-5-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 107873022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).