3-bromo-N-(3-methylbut-2-en-2-yl)benzamide

C12H14BrNO — CID 134550812

IUPAC3-bromo-N-(3-methylbut-2-en-2-yl)benzamide
SMILESCC(C)=C(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c1-8(2)9(3)14-12(15)10-5-4-6-11(13)7-10/h4-7H,1-3H3,(H,14,15)
InChIKeyGVRIQNYHHOYHIU-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.49
Rot. Bonds2

About 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide

3-bromo-N-(3-methylbut-2-en-2-yl)benzamide (PubChem CID 134550812) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-methylbut-2-en-2-yl)benzamide
PubChem CID134550812
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3-bromo-N-(3-methylbut-2-en-2-yl)benzamide
SMILESCC(C)=C(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c1-8(2)9(3)14-12(15)10-5-4-6-11(13)7-10/h4-7H,1-3H3,(H,14,15)
InChIKeyGVRIQNYHHOYHIU-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide (CID 134550812) is 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide is CC(C)=C(C)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide?
The InChIKey is GVRIQNYHHOYHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(2)9(3)14-12(15)10-5-4-6-11(13)7-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide?
3-bromo-N-(3-methylbut-2-en-2-yl)benzamide has a molecular weight of 268.15 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methylbut-2-en-2-yl)benzamide is sourced from PubChem (CID 134550812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).