4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide

C15H20BrNO2 — CID 115369291

IUPAC4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC1CCC(C)C1C
InChIInChI=1S/C15H20BrNO2/c1-9-4-7-13(10(9)2)17-15(18)12-6-5-11(16)8-14(12)19-3/h5-6,8-10,13H,4,7H2,1-3H3,(H,17,18)
InChIKeyUGCKUSALNRUTDF-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.62
Rot. Bonds3

About 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide

4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide (PubChem CID 115369291) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide
PubChem CID115369291
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC1CCC(C)C1C
InChIInChI=1S/C15H20BrNO2/c1-9-4-7-13(10(9)2)17-15(18)12-6-5-11(16)8-14(12)19-3/h5-6,8-10,13H,4,7H2,1-3H3,(H,17,18)
InChIKeyUGCKUSALNRUTDF-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide
CID 113246081
2-amino-N-(2,3-dimethylcyclopentyl)-4-methoxybenzamide
CID 115413379
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
CID 124516888
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
2,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326134
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide (CID 115369291) is 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC1CCC(C)C1C.
What is the InChIKey of 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide?
The InChIKey is UGCKUSALNRUTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-9-4-7-13(10(9)2)17-15(18)12-6-5-11(16)8-14(12)19-3/h5-6,8-10,13H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide?
4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide is sourced from PubChem (CID 115369291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).