4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C12H16BrClN2O — CID 119451440

IUPAC4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(Br)ccc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C12H15BrN2O.ClH/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);1H
InChIKeyKEWZWRUWSMSCFJ-UHFFFAOYSA-N
MW319.63 g/mol
LogP2.27
Rot. Bonds2

About 4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119451440) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119451440
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(Br)ccc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C12H15BrN2O.ClH/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);1H
InChIKeyKEWZWRUWSMSCFJ-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
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
1-(3-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453392
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119451440) is 4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1cc(Br)ccc1C(=O)NC1CCNC1.Cl.
What is the InChIKey of 4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is KEWZWRUWSMSCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O.ClH/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);1H.
What are the key properties of 4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 319.63 g/mol, XLogP of 2.27, 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-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119451440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).