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

C12H15Br2NO — CID 107980064

IUPAC3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-7(2)8(3)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,1-3H3,(H,15,16)
InChIKeyNYFMAHQDWRKFGQ-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.99
Rot. Bonds3

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

3,5-dibromo-N-(3-methylbutan-2-yl)benzamide (PubChem CID 107980064) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
PubChem CID107980064
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-7(2)8(3)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,1-3H3,(H,15,16)
InChIKeyNYFMAHQDWRKFGQ-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide
CID 103891766
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
CID 78795162
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
2-[(3,5-dibromobenzoyl)amino]-3-methylpentanoic acid
CID 114022455
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide
CID 114022873
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
3-bromo-N-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
CID 42908120

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(3-methylbutan-2-yl)benzamide (CID 107980064) is 3,5-dibromo-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is NYFMAHQDWRKFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-7(2)8(3)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,1-3H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(3-methylbutan-2-yl)benzamide?
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 349.07 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 107980064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).