2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide

C14H18BrNO — CID 80987670

IUPAC2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NC2(C)CCCC2)c1
InChIInChI=1S/C14H18BrNO/c1-10-5-6-12(15)11(9-10)13(17)16-14(2)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyCTVALUAKSXBRCP-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.82
Rot. Bonds2

About 2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide

2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide (PubChem CID 80987670) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
PubChem CID80987670
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NC2(C)CCCC2)c1
InChIInChI=1S/C14H18BrNO/c1-10-5-6-12(15)11(9-10)13(17)16-14(2)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyCTVALUAKSXBRCP-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-5-methyl-N-(1-methylcyclohexyl)benzamide
CID 80972166
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743
2-hydroxy-4-methyl-N-(1-methylcyclohexyl)benzamide
CID 61216850
N-(1-bicyclo[1.1.1]pentanyl)-2-bromo-5-methylbenzamide
CID 172646961
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
5-methyl-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499534
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide
CID 103853566
4-bromo-N-(1-methylcyclopentyl)-2-sulfanylbenzamide
CID 107023881

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide (CID 80987670) is 2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide is Cc1ccc(Br)c(C(=O)NC2(C)CCCC2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide?
The InChIKey is CTVALUAKSXBRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-5-6-12(15)11(9-10)13(17)16-14(2)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide?
2-bromo-5-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-5-methyl-N-(1-methylcyclopentyl)benzamide is sourced from PubChem (CID 80987670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).