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

C16H22BrFN2O — CID 106611910

IUPAC2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C16H22BrFN2O/c1-2-3-10-20(11-12-6-5-9-19-12)16(21)15-13(17)7-4-8-14(15)18/h4,7-8,12,19H,2-3,5-6,9-11H2,1H3
InChIKeyNIPPXXHOYHWIJO-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.58
Rot. Bonds6

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

2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106611910) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is 2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106611910
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC Name2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C16H22BrFN2O/c1-2-3-10-20(11-12-6-5-9-19-12)16(21)15-13(17)7-4-8-14(15)18/h4,7-8,12,19H,2-3,5-6,9-11H2,1H3
InChIKeyNIPPXXHOYHWIJO-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607384
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 107520350
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332
5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106611910) is 2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is NIPPXXHOYHWIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c1-2-3-10-20(11-12-6-5-9-19-12)16(21)15-13(17)7-4-8-14(15)18/h4,7-8,12,19H,2-3,5-6,9-11H2,1H3.
What are the key properties of 2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 357.27 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106611910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).