3-bromo-N-(3-methoxycyclopentyl)benzamide

C13H16BrNO2 — CID 103082479

IUPAC3-bromo-N-(3-methoxycyclopentyl)benzamide
SMILESCOC1CCC(NC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H16BrNO2/c1-17-12-6-5-11(8-12)15-13(16)9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3,(H,15,16)
InChIKeyCWGXGANTIPOWGR-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.75
Rot. Bonds3

About 3-bromo-N-(3-methoxycyclopentyl)benzamide

3-bromo-N-(3-methoxycyclopentyl)benzamide (PubChem CID 103082479) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-bromo-N-(3-methoxycyclopentyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-methoxycyclopentyl)benzamide
PubChem CID103082479
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name3-bromo-N-(3-methoxycyclopentyl)benzamide
SMILESCOC1CCC(NC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H16BrNO2/c1-17-12-6-5-11(8-12)15-13(16)9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3,(H,15,16)
InChIKeyCWGXGANTIPOWGR-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617105
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
3-hydroxy-4-methoxy-N-(3-methoxycyclopentyl)benzamide
CID 103099443
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 114117879
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide
CID 55864621

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methoxycyclopentyl)benzamide?
The IUPAC name of 3-bromo-N-(3-methoxycyclopentyl)benzamide (CID 103082479) is 3-bromo-N-(3-methoxycyclopentyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-methoxycyclopentyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-methoxycyclopentyl)benzamide is COC1CCC(NC(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-bromo-N-(3-methoxycyclopentyl)benzamide?
The InChIKey is CWGXGANTIPOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-17-12-6-5-11(8-12)15-13(16)9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(3-methoxycyclopentyl)benzamide?
3-bromo-N-(3-methoxycyclopentyl)benzamide has a molecular weight of 298.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methoxycyclopentyl)benzamide is sourced from PubChem (CID 103082479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).