3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide

C12H11Br2NO — CID 103908693

IUPAC3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide
SMILESC#CC(C)(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H11Br2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
InChIKeyMHLKZOVPWRRFGH-UHFFFAOYSA-N
MW345.03 g/mol
LogP3.35
Rot. Bonds2

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

3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide (PubChem CID 103908693) has the molecular formula C12H11Br2NO and a molecular weight of 345.03 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide
PubChem CID103908693
Molecular FormulaC12H11Br2NO
Molecular Weight345.03 g/mol
Exact Mass342.92
IUPAC Name3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide
SMILESC#CC(C)(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H11Br2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
InChIKeyMHLKZOVPWRRFGH-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.03
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trichloro-N-(2-methylbut-3-yn-2-yl)benzamide
CID 71357884
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
CID 103908225
3-amino-4-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
CID 63999081
N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide
CID 63998131
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
2-bromo-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-4-carboxamide
CID 170741009
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 103907463
3-amino-6-bromo-N-(2-methylbut-3-yn-2-yl)-1-benzothiophene-2-carboxamide
CID 114907972
methyl 2-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoate
CID 104852229
3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide
CID 115877389
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113349822

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide (CID 103908693) is 3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide is C#CC(C)(C)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide?
The InChIKey is MHLKZOVPWRRFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide?
3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide has a molecular weight of 345.03 g/mol, XLogP of 3.35, 2 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-methylbut-3-yn-2-yl)benzamide is sourced from PubChem (CID 103908693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).