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

C14H11Br3N2O — CID 107873304

IUPAC3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H11Br3N2O/c1-7-9(5-8(15)6-12(7)18)14(20)19-13-10(16)3-2-4-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyFLRLLXPMLQEENQ-UHFFFAOYSA-N
MW462.97 g/mol
LogP5.12
Rot. Bonds2

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

3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide (PubChem CID 107873304) has the molecular formula C14H11Br3N2O and a molecular weight of 462.97 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
PubChem CID107873304
Molecular FormulaC14H11Br3N2O
Molecular Weight462.97 g/mol
Exact Mass459.84
IUPAC Name3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H11Br3N2O/c1-7-9(5-8(15)6-12(7)18)14(20)19-13-10(16)3-2-4-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyFLRLLXPMLQEENQ-UHFFFAOYSA-N
XLogP5.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.97
LogP ≤ 55.12
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-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
3-amino-5-bromo-N-(2-chloro-6-methylphenyl)-2-methylbenzamide
CID 107872903
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
CID 107873022
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzamide
CID 107872220
3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 107872334
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119
3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
CID 107872119
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide (CID 107873304) is 3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide?
The InChIKey is FLRLLXPMLQEENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3N2O/c1-7-9(5-8(15)6-12(7)18)14(20)19-13-10(16)3-2-4-11(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide?
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide has a molecular weight of 462.97 g/mol, XLogP of 5.12, 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)-2-methylbenzamide is sourced from PubChem (CID 107873304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).