2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide

C14H18BrNO — CID 103855542

IUPAC2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C2CCC2)c1Br
InChIInChI=1S/C14H18BrNO/c1-9-5-3-8-12(13(9)15)14(17)16-10(2)11-6-4-7-11/h3,5,8,10-11H,4,6-7H2,1-2H3,(H,16,17)
InChIKeyDWLROZLUKDRRTN-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.68
Rot. Bonds3

About 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide

2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide (PubChem CID 103855542) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
PubChem CID103855542
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C2CCC2)c1Br
InChIInChI=1S/C14H18BrNO/c1-9-5-3-8-12(13(9)15)14(17)16-10(2)11-6-4-7-11/h3,5,8,10-11H,4,6-7H2,1-2H3,(H,16,17)
InChIKeyDWLROZLUKDRRTN-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide
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CID 81002782
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107981488
2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 107983181
N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide (CID 103855542) is 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C2CCC2)c1Br.
What is the InChIKey of 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide?
The InChIKey is DWLROZLUKDRRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9-5-3-8-12(13(9)15)14(17)16-10(2)11-6-4-7-11/h3,5,8,10-11H,4,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide?
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide is sourced from PubChem (CID 103855542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).