2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C13H16BrFN2O — CID 106607384

IUPAC2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H16BrFN2O/c1-17(8-9-4-3-7-16-9)13(18)12-10(14)5-2-6-11(12)15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyIGJCXRWUJBALPE-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.41
Rot. Bonds3

About 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106607384) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106607384
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H16BrFN2O/c1-17(8-9-4-3-7-16-9)13(18)12-10(14)5-2-6-11(12)15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyIGJCXRWUJBALPE-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910
2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 114560252
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107956374
3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607828
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide
CID 106607367
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106607724

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106607384) is 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is CN(CC1CCCN1)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is IGJCXRWUJBALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-17(8-9-4-3-7-16-9)13(18)12-10(14)5-2-6-11(12)15/h2,5-6,9,16H,3-4,7-8H2,1H3.
What are the key properties of 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 315.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106607384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).