3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide

C16H22BrNO2 — CID 64923164

IUPAC3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
SMILESCCC1CCC(NC(=O)c2ccc(OC)c(Br)c2)C1C
InChIInChI=1S/C16H22BrNO2/c1-4-11-5-7-14(10(11)2)18-16(19)12-6-8-15(20-3)13(17)9-12/h6,8-11,14H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyQGHXRAGYKKXAFR-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.01
Rot. Bonds4

About 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide

3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide (PubChem CID 64923164) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
PubChem CID64923164
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
SMILESCCC1CCC(NC(=O)c2ccc(OC)c(Br)c2)C1C
InChIInChI=1S/C16H22BrNO2/c1-4-11-5-7-14(10(11)2)18-16(19)12-6-8-15(20-3)13(17)9-12/h6,8-11,14H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyQGHXRAGYKKXAFR-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 55210410
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826
N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615105
N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide
CID 107676725
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62086482
3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
CID 64923475
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999041
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
3-bromo-4-methoxy-N-(1-oxothian-4-yl)benzamide
CID 113429210

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide (CID 64923164) is 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide is CCC1CCC(NC(=O)c2ccc(OC)c(Br)c2)C1C.
What is the InChIKey of 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide?
The InChIKey is QGHXRAGYKKXAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-4-11-5-7-14(10(11)2)18-16(19)12-6-8-15(20-3)13(17)9-12/h6,8-11,14H,4-5,7H2,1-3H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide?
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide has a molecular weight of 340.26 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide is sourced from PubChem (CID 64923164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).