2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide

C14H18BrNO — CID 103855320

IUPAC2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2CCC2)c1Br
InChIInChI=1S/C14H18BrNO/c1-10-4-2-7-12(13(10)15)14(17)16-9-8-11-5-3-6-11/h2,4,7,11H,3,5-6,8-9H2,1H3,(H,16,17)
InChIKeyBOHNGMCIJVKZCX-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.68
Rot. Bonds4

About 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide

2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide (PubChem CID 103855320) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
PubChem CID103855320
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2CCC2)c1Br
InChIInChI=1S/C14H18BrNO/c1-10-4-2-7-12(13(10)15)14(17)16-9-8-11-5-3-6-11/h2,4,7,11H,3,5-6,8-9H2,1H3,(H,16,17)
InChIKeyBOHNGMCIJVKZCX-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
2-(2-cyclobutylethylcarbamoyl)benzoic acid
CID 113478591
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
2-bromo-N-[(2-bromocyclohexyl)methyl]-3-methylbenzamide
CID 114024074
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
CID 107983088
2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
CID 103852955
2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide
CID 103853537
2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide (CID 103855320) is 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide is Cc1cccc(C(=O)NCCC2CCC2)c1Br.
What is the InChIKey of 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide?
The InChIKey is BOHNGMCIJVKZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-4-2-7-12(13(10)15)14(17)16-9-8-11-5-3-6-11/h2,4,7,11H,3,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide?
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide is sourced from PubChem (CID 103855320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).