4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

C12H15BrN2O — CID 79689167

IUPAC4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1cc(Br)ccc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C12H15BrN2O/c1-8-6-9(13)2-3-11(8)12(16)15-10-4-5-14-7-10/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyQCYYJEFNDRYTNI-SNVBAGLBSA-N
MW283.17 g/mol
LogP1.85
Rot. Bonds2

About 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 79689167) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID79689167
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1cc(Br)ccc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C12H15BrN2O/c1-8-6-9(13)2-3-11(8)12(16)15-10-4-5-14-7-10/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyQCYYJEFNDRYTNI-SNVBAGLBSA-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

4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351
N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide
CID 43630056
1-(4-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119453825
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 79689167) is 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide is Cc1cc(Br)ccc1C(=O)N[C@@H]1CCNC1.
What is the InChIKey of 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is QCYYJEFNDRYTNI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-6-9(13)2-3-11(8)12(16)15-10-4-5-14-7-10/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide 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 4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79689167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).