3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide

C14H18BrNO — CID 115673069

IUPAC3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
SMILESCCC1(NC(=O)c2ccc(C)c(Br)c2)CCC1
InChIInChI=1S/C14H18BrNO/c1-3-14(7-4-8-14)16-13(17)11-6-5-10(2)12(15)9-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyWRNQQPPHYHYNTO-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.82
Rot. Bonds3

About 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide

3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide (PubChem CID 115673069) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
PubChem CID115673069
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
SMILESCCC1(NC(=O)c2ccc(C)c(Br)c2)CCC1
InChIInChI=1S/C14H18BrNO/c1-3-14(7-4-8-14)16-13(17)11-6-5-10(2)12(15)9-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyWRNQQPPHYHYNTO-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
CID 113358588
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
4-bromo-N-(1-ethylcyclopropyl)benzamide
CID 131025860
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide
CID 113248304
N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 105401701
3-bromo-N-(1-carbamothioylcycloheptyl)-4-methylbenzamide
CID 81457319
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide (CID 115673069) is 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide is CCC1(NC(=O)c2ccc(C)c(Br)c2)CCC1.
What is the InChIKey of 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide?
The InChIKey is WRNQQPPHYHYNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-3-14(7-4-8-14)16-13(17)11-6-5-10(2)12(15)9-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide?
3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide is sourced from PubChem (CID 115673069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).