2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide

C11H12BrFN2O — CID 79687966

IUPAC2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cc(F)ccc1Br
InChIInChI=1S/C11H12BrFN2O/c12-10-2-1-7(13)5-9(10)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m0/s1
InChIKeyJIZYGYSZGWGDBP-QMMMGPOBSA-N
MW287.13 g/mol
LogP1.68
Rot. Bonds2

About 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide

2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 79687966) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID79687966
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cc(F)ccc1Br
InChIInChI=1S/C11H12BrFN2O/c12-10-2-1-7(13)5-9(10)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m0/s1
InChIKeyJIZYGYSZGWGDBP-QMMMGPOBSA-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

Analyze 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-fluoro-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]benzamide;hydrochloride
CID 119452164
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
CID 104645323
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424450

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 79687966) is 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCNC1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is JIZYGYSZGWGDBP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c12-10-2-1-7(13)5-9(10)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m0/s1.
What are the key properties of 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide 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 2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79687966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).