3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide

C12H15BrN2O — CID 81472649

IUPAC3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1ccc(C(=O)NC2CCNC2)cc1Br
InChIInChI=1S/C12H15BrN2O/c1-8-2-3-9(6-11(8)13)12(16)15-10-4-5-14-7-10/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyULOJXFQQZZYFHE-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.85
Rot. Bonds2

About 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide

3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 81472649) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID81472649
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1ccc(C(=O)NC2CCNC2)cc1Br
InChIInChI=1S/C12H15BrN2O/c1-8-2-3-9(6-11(8)13)12(16)15-10-4-5-14-7-10/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyULOJXFQQZZYFHE-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
3-bromo-4-(dimethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454444
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
4-methyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55068272
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide (CID 81472649) is 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide is Cc1ccc(C(=O)NC2CCNC2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is ULOJXFQQZZYFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-2-3-9(6-11(8)13)12(16)15-10-4-5-14-7-10/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide?
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 283.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 81472649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).