5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide

C16H16Br2N2O — CID 102704977

IUPAC5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c(C)cc2C)c(Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-8-4-12(17)15(13(18)5-8)20-16(21)11-7-14(19)10(3)6-9(11)2/h4-7H,19H2,1-3H3,(H,20,21)
InChIKeyHUZCZNAEXHJBFU-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.97
Rot. Bonds2

About 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide

5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide (PubChem CID 102704977) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
PubChem CID102704977
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c(C)cc2C)c(Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-8-4-12(17)15(13(18)5-8)20-16(21)11-7-14(19)10(3)6-9(11)2/h4-7H,19H2,1-3H3,(H,20,21)
InChIKeyHUZCZNAEXHJBFU-UHFFFAOYSA-N
XLogP4.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.97
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

5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
CID 107121286
2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 115540020
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102704921
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
CID 114021285

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide (CID 102704977) is 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide is Cc1cc(Br)c(NC(=O)c2cc(N)c(C)cc2C)c(Br)c1.
What is the InChIKey of 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide?
The InChIKey is HUZCZNAEXHJBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-8-4-12(17)15(13(18)5-8)20-16(21)11-7-14(19)10(3)6-9(11)2/h4-7H,19H2,1-3H3,(H,20,21).
What are the key properties of 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide?
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide has a molecular weight of 412.13 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102704977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).