3,5-dibromo-N-(2-methylpentan-3-yl)benzamide

C13H17Br2NO — CID 107980373

IUPAC3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
SMILESCCC(NC(=O)c1cc(Br)cc(Br)c1)C(C)C
InChIInChI=1S/C13H17Br2NO/c1-4-12(8(2)3)16-13(17)9-5-10(14)7-11(15)6-9/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyXBHVBYFUCBTUKY-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.38
Rot. Bonds4

About 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide

3,5-dibromo-N-(2-methylpentan-3-yl)benzamide (PubChem CID 107980373) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
PubChem CID107980373
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
SMILESCCC(NC(=O)c1cc(Br)cc(Br)c1)C(C)C
InChIInChI=1S/C13H17Br2NO/c1-4-12(8(2)3)16-13(17)9-5-10(14)7-11(15)6-9/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyXBHVBYFUCBTUKY-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79246230
3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide
CID 104860295
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-fluorobenzamide
CID 114177786
2-[(3,5-dibromobenzoyl)amino]-3-methylpentanoic acid
CID 114022455
4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
CID 61470818
4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
CID 54949695
3-bromo-N-(1-iodo-3-methylbutan-2-yl)-5-nitrobenzamide
CID 114010023
3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
CID 103908423

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide (CID 107980373) is 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide is CCC(NC(=O)c1cc(Br)cc(Br)c1)C(C)C.
What is the InChIKey of 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide?
The InChIKey is XBHVBYFUCBTUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-4-12(8(2)3)16-13(17)9-5-10(14)7-11(15)6-9/h5-8,12H,4H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide?
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide has a molecular weight of 363.09 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-methylpentan-3-yl)benzamide is sourced from PubChem (CID 107980373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).