3,5-dibromo-N-(3-methylbut-2-enyl)benzamide

C12H13Br2NO — CID 106189386

IUPAC3,5-dibromo-N-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H13Br2NO/c1-8(2)3-4-15-12(16)9-5-10(13)7-11(14)6-9/h3,5-7H,4H2,1-2H3,(H,15,16)
InChIKeyFGSONBXMOSHKIZ-UHFFFAOYSA-N
MW347.05 g/mol
LogP3.91
Rot. Bonds3

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

3,5-dibromo-N-(3-methylbut-2-enyl)benzamide (PubChem CID 106189386) has the molecular formula C12H13Br2NO and a molecular weight of 347.05 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-methylbut-2-enyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3-methylbut-2-enyl)benzamide
PubChem CID106189386
Molecular FormulaC12H13Br2NO
Molecular Weight347.05 g/mol
Exact Mass344.94
IUPAC Name3,5-dibromo-N-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H13Br2NO/c1-8(2)3-4-15-12(16)9-5-10(13)7-11(14)6-9/h3,5-7H,4H2,1-2H3,(H,15,16)
InChIKeyFGSONBXMOSHKIZ-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trifluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528204
3-bromo-4-fluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528184
3-amino-5-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179693
3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
3-fluoro-5-(3-methylbut-2-enylcarbamoyl)benzenesulfonyl chloride
CID 114155874
3,5-dibromo-N-(2-sulfanylethyl)benzamide
CID 118586538
N-(2-aminoethyl)-3,5-dibromobenzamide
CID 107971787
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
3,5-dibromo-N-(2-chlorobutyl)benzamide
CID 107975285
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-methylbut-2-enyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(3-methylbut-2-enyl)benzamide (CID 106189386) is 3,5-dibromo-N-(3-methylbut-2-enyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(3-methylbut-2-enyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(3-methylbut-2-enyl)benzamide is CC(C)=CCNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(3-methylbut-2-enyl)benzamide?
The InChIKey is FGSONBXMOSHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO/c1-8(2)3-4-15-12(16)9-5-10(13)7-11(14)6-9/h3,5-7H,4H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(3-methylbut-2-enyl)benzamide?
3,5-dibromo-N-(3-methylbut-2-enyl)benzamide has a molecular weight of 347.05 g/mol, XLogP of 3.91, 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-methylbut-2-enyl)benzamide is sourced from PubChem (CID 106189386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).