2,5-dibromo-N-(2,6-diethylphenyl)benzamide

C17H17Br2NO — CID 114369798

IUPAC2,5-dibromo-N-(2,6-diethylphenyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C17H17Br2NO/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-10-13(18)8-9-15(14)19/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyGBIXEKQZBKWLLV-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.59
Rot. Bonds4

About 2,5-dibromo-N-(2,6-diethylphenyl)benzamide

2,5-dibromo-N-(2,6-diethylphenyl)benzamide (PubChem CID 114369798) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,6-diethylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,6-diethylphenyl)benzamide
PubChem CID114369798
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC Name2,5-dibromo-N-(2,6-diethylphenyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C17H17Br2NO/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-10-13(18)8-9-15(14)19/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyGBIXEKQZBKWLLV-UHFFFAOYSA-N
XLogP5.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195
2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
CID 24693167
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107642067
4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43410595
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,6-diethylphenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2,6-diethylphenyl)benzamide (CID 114369798) is 2,5-dibromo-N-(2,6-diethylphenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2,6-diethylphenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2,6-diethylphenyl)benzamide is CCc1cccc(CC)c1NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,6-diethylphenyl)benzamide?
The InChIKey is GBIXEKQZBKWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-10-13(18)8-9-15(14)19/h5-10H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 2,5-dibromo-N-(2,6-diethylphenyl)benzamide?
2,5-dibromo-N-(2,6-diethylphenyl)benzamide has a molecular weight of 411.14 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,6-diethylphenyl)benzamide is sourced from PubChem (CID 114369798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).