5-bromo-N-cyclobutyl-2-methylbenzamide

C12H14BrNO — CID 65309674

IUPAC5-bromo-N-cyclobutyl-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCC1
InChIInChI=1S/C12H14BrNO/c1-8-5-6-9(13)7-11(8)12(15)14-10-3-2-4-10/h5-7,10H,2-4H2,1H3,(H,14,15)
InChIKeyZLQCVTLMSHSVSK-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.04
Rot. Bonds2

About 5-bromo-N-cyclobutyl-2-methylbenzamide

5-bromo-N-cyclobutyl-2-methylbenzamide (PubChem CID 65309674) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 5-bromo-N-cyclobutyl-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-cyclobutyl-2-methylbenzamide
PubChem CID65309674
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name5-bromo-N-cyclobutyl-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCC1
InChIInChI=1S/C12H14BrNO/c1-8-5-6-9(13)7-11(8)12(15)14-10-3-2-4-10/h5-7,10H,2-4H2,1H3,(H,14,15)
InChIKeyZLQCVTLMSHSVSK-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 65309683
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
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5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
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5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
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5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide
CID 65312155
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide
CID 65312004

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclobutyl-2-methylbenzamide?
The IUPAC name of 5-bromo-N-cyclobutyl-2-methylbenzamide (CID 65309674) is 5-bromo-N-cyclobutyl-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-cyclobutyl-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-cyclobutyl-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC1CCC1.
What is the InChIKey of 5-bromo-N-cyclobutyl-2-methylbenzamide?
The InChIKey is ZLQCVTLMSHSVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8-5-6-9(13)7-11(8)12(15)14-10-3-2-4-10/h5-7,10H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-cyclobutyl-2-methylbenzamide?
5-bromo-N-cyclobutyl-2-methylbenzamide has a molecular weight of 268.15 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclobutyl-2-methylbenzamide is sourced from PubChem (CID 65309674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).