3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide

C11H12BrFN2O — CID 62380250

IUPAC3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H12BrFN2O/c12-8-3-7(4-9(13)5-8)11(16)15-10-1-2-14-6-10/h3-5,10,14H,1-2,6H2,(H,15,16)
InChIKeyZLCXKJHZGSGSCF-UHFFFAOYSA-N
MW287.13 g/mol
LogP1.68
Rot. Bonds2

About 3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide

3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide (PubChem CID 62380250) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide
PubChem CID62380250
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H12BrFN2O/c12-8-3-7(4-9(13)5-8)11(16)15-10-1-2-14-6-10/h3-5,10,14H,1-2,6H2,(H,15,16)
InChIKeyZLCXKJHZGSGSCF-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866610
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779
3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
CID 63326352
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 63870959
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide (CID 62380250) is 3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide?
The InChIKey is ZLCXKJHZGSGSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c12-8-3-7(4-9(13)5-8)11(16)15-10-1-2-14-6-10/h3-5,10,14H,1-2,6H2,(H,15,16).
What are the key properties of 3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide?
3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide has a molecular weight of 287.13 g/mol, XLogP of 1.68, 2 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-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 62380250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).