3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C13H17BrClFN2O — CID 119534037

IUPAC3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H16BrFN2O.ClH/c14-11-5-10(6-12(15)7-11)13(18)17-4-2-9-1-3-16-8-9;/h5-7,9,16H,1-4,8H2,(H,17,18);1H
InChIKeyNCRARWOONRQVFW-UHFFFAOYSA-N
MW351.65 g/mol
LogP2.74
Rot. Bonds4

About 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119534037) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119534037
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H16BrFN2O.ClH/c14-11-5-10(6-12(15)7-11)13(18)17-4-2-9-1-3-16-8-9;/h5-7,9,16H,1-4,8H2,(H,17,18);1H
InChIKeyNCRARWOONRQVFW-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 62380250
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779
5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119537569
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119536966
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 63870959

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119534037) is 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is NCRARWOONRQVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O.ClH/c14-11-5-10(6-12(15)7-11)13(18)17-4-2-9-1-3-16-8-9;/h5-7,9,16H,1-4,8H2,(H,17,18);1H.
What are the key properties of 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 351.65 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119534037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).