3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide

C12H15BrN2O — CID 61342409

IUPAC3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O/c1-15-6-5-11(8-15)14-12(16)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,14,16)
InChIKeyVGSDLQZRFKWUPD-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.88
Rot. Bonds2

About 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide

3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 61342409) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID61342409
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O/c1-15-6-5-11(8-15)14-12(16)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,14,16)
InChIKeyVGSDLQZRFKWUPD-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 104852532
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide (CID 61342409) is 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is VGSDLQZRFKWUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-15-6-5-11(8-15)14-12(16)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,14,16).
What are the key properties of 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide?
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 283.17 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 61342409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).