5-bromo-2-(3-methylbutoxy)benzamide

C12H16BrNO2 — CID 67555588

IUPAC5-bromo-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C12H16BrNO2/c1-8(2)5-6-16-11-4-3-9(13)7-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15)
InChIKeyFVHXTIJRRPBBQI-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.97
Rot. Bonds5

About 5-bromo-2-(3-methylbutoxy)benzamide

5-bromo-2-(3-methylbutoxy)benzamide (PubChem CID 67555588) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name5-bromo-2-(3-methylbutoxy)benzamide
PubChem CID67555588
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C12H16BrNO2/c1-8(2)5-6-16-11-4-3-9(13)7-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15)
InChIKeyFVHXTIJRRPBBQI-UHFFFAOYSA-N
XLogP2.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484672
1-[5-bromo-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanone
CID 61059118
5-bromo-2-(3-methylbutoxy)-N-(propan-2-ylcarbamothioyl)benzamide
CID 17351056
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
5-bromo-N-(diethylcarbamothioyl)-2-(3-methylbutoxy)benzamide
CID 17351006
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
5-bromo-2-(3-methylbutoxy)aniline
CID 26190377
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
5-bromo-N-(butylcarbamothioyl)-2-(3-methylbutoxy)benzamide
CID 17143050
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylbutoxy)benzamide?
The IUPAC name of 5-bromo-2-(3-methylbutoxy)benzamide (CID 67555588) is 5-bromo-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for 5-bromo-2-(3-methylbutoxy)benzamide?
The canonical SMILES for 5-bromo-2-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(Br)cc1C(N)=O.
What is the InChIKey of 5-bromo-2-(3-methylbutoxy)benzamide?
The InChIKey is FVHXTIJRRPBBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(2)5-6-16-11-4-3-9(13)7-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15).
What are the key properties of 5-bromo-2-(3-methylbutoxy)benzamide?
5-bromo-2-(3-methylbutoxy)benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 67555588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).