3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide

C16H22BrNO3 — CID 115880854

IUPAC3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C16H22BrNO3/c1-16(2)6-5-10(9-16)18-15(19)12-7-11(20-3)8-13(17)14(12)21-4/h7-8,10H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyNUUKAYVVNCNJLB-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.77
Rot. Bonds4

About 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide

3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide (PubChem CID 115880854) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide
PubChem CID115880854
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C16H22BrNO3/c1-16(2)6-5-10(9-16)18-15(19)12-7-11(20-3)8-13(17)14(12)21-4/h7-8,10H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyNUUKAYVVNCNJLB-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
3-bromo-N,2,5-trimethoxybenzamide
CID 60713137
N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide
CID 115880925
3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
CID 80717764
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
N-(3,3-dimethylcyclopentyl)-4-methylthiophene-3-carboxamide
CID 115881864
2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide
CID 43652918
3-bromo-N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843728
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethoxybenzamide
CID 107844964
3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 24625138
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethoxybenzamide
CID 106179978

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide?
The IUPAC name of 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide (CID 115880854) is 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide?
The canonical SMILES for 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide is COc1cc(Br)c(OC)c(C(=O)NC2CCC(C)(C)C2)c1.
What is the InChIKey of 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide?
The InChIKey is NUUKAYVVNCNJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-16(2)6-5-10(9-16)18-15(19)12-7-11(20-3)8-13(17)14(12)21-4/h7-8,10H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide?
3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide has a molecular weight of 356.26 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3-dimethylcyclopentyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 115880854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).