3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide

C13H17BrN2O — CID 104852532

IUPAC3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)NC2CCN(C)C2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-5-10(7-11(14)6-9)13(17)15-12-3-4-16(2)8-12/h5-7,12H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyOSCGQEMSIIDCKY-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.19
Rot. Bonds2

About 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide

3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 104852532) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID104852532
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)NC2CCN(C)C2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-5-10(7-11(14)6-9)13(17)15-12-3-4-16(2)8-12/h5-7,12H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyOSCGQEMSIIDCKY-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730
3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104852574
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
3-bromo-N-(1,1-dioxothian-3-yl)-5-methylbenzamide
CID 104852729
N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine
CID 107582028
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967
3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide (CID 104852532) is 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide is Cc1cc(Br)cc(C(=O)NC2CCN(C)C2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is OSCGQEMSIIDCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-5-10(7-11(14)6-9)13(17)15-12-3-4-16(2)8-12/h5-7,12H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 297.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 104852532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).