2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C12H14BrFN2O2 — CID 120944140

IUPAC2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1c(F)cccc1Br
InChIInChI=1S/C12H14BrFN2O2/c13-8-2-1-3-9(14)11(8)12(18)16-5-7-4-15-6-10(7)17/h1-3,7,10,15,17H,4-6H2,(H,16,18)
InChIKeyKUILUCUICOWQPR-UHFFFAOYSA-N
MW317.16 g/mol
LogP0.90
Rot. Bonds3

About 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120944140) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120944140
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1c(F)cccc1Br
InChIInChI=1S/C12H14BrFN2O2/c13-8-2-1-3-9(14)11(8)12(18)16-5-7-4-15-6-10(7)17/h1-3,7,10,15,17H,4-6H2,(H,16,18)
InChIKeyKUILUCUICOWQPR-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944182
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
2,6-difluoro-N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120947312
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 115678740
3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride
CID 120945311
2-bromo-6-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736847

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120944140) is 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CNCC1O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is KUILUCUICOWQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-8-2-1-3-9(14)11(8)12(18)16-5-7-4-15-6-10(7)17/h1-3,7,10,15,17H,4-6H2,(H,16,18).
What are the key properties of 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 317.16 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120944140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).