2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide

C13H17BrN2O — CID 107983110

IUPAC2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1cccc(C(=O)N(C)C2CCNC2)c1Br
InChIInChI=1S/C13H17BrN2O/c1-9-4-3-5-11(12(9)14)13(17)16(2)10-6-7-15-8-10/h3-5,10,15H,6-8H2,1-2H3
InChIKeyWNYIMQKFWKBIOF-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.19
Rot. Bonds2

About 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide

2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 107983110) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
PubChem CID107983110
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1cccc(C(=O)N(C)C2CCNC2)c1Br
InChIInChI=1S/C13H17BrN2O/c1-9-4-3-5-11(12(9)14)13(17)16(2)10-6-7-15-8-10/h3-5,10,15H,6-8H2,1-2H3
InChIKeyWNYIMQKFWKBIOF-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-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
N,2,3-trimethyl-N-piperidin-3-ylbenzamide
CID 54923746
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613629
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
N-[2-methyl-6-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 119551533
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613861
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide (CID 107983110) is 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide is Cc1cccc(C(=O)N(C)C2CCNC2)c1Br.
What is the InChIKey of 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is WNYIMQKFWKBIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-4-3-5-11(12(9)14)13(17)16(2)10-6-7-15-8-10/h3-5,10,15H,6-8H2,1-2H3.
What are the key properties of 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide?
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide 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 2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 107983110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).