2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide

C14H18BrNO — CID 103853566

IUPAC2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide
SMILESCc1cccc(C(=O)NC2(C)CCCC2)c1Br
InChIInChI=1S/C14H18BrNO/c1-10-6-5-7-11(12(10)15)13(17)16-14(2)8-3-4-9-14/h5-7H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyYZKRXCHKSAWVPL-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.82
Rot. Bonds2

About 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide

2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide (PubChem CID 103853566) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide
PubChem CID103853566
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide
SMILESCc1cccc(C(=O)NC2(C)CCCC2)c1Br
InChIInChI=1S/C14H18BrNO/c1-10-6-5-7-11(12(10)15)13(17)16-14(2)8-3-4-9-14/h5-7H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyYZKRXCHKSAWVPL-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

2-bromo-N-(1-carbamothioylcyclopentyl)-3-methylbenzamide
CID 107982246
2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
CID 80987670
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
CID 80972166
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylbenzamide
CID 107984007
2-bromo-N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 107983965
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103853932
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide
CID 103897052
4-bromo-N-(1-methylcyclopentyl)-2-sulfanylbenzamide
CID 107023881
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide (CID 103853566) is 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide is Cc1cccc(C(=O)NC2(C)CCCC2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide?
The InChIKey is YZKRXCHKSAWVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-6-5-7-11(12(10)15)13(17)16-14(2)8-3-4-9-14/h5-7H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide?
2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide has a molecular weight of 296.21 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide is sourced from PubChem (CID 103853566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).