4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride

C12H15BrClFN2O — CID 119386400

IUPAC4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H14BrFN2O.ClH/c13-10-2-1-8(7-11(10)14)12(17)16-9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6H2,(H,16,17);1H
InChIKeyGTQZPLWJBSNSKJ-UHFFFAOYSA-N
MW337.62 g/mol
LogP2.49
Rot. Bonds2

About 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride

4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119386400) has the molecular formula C12H15BrClFN2O and a molecular weight of 337.62 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119386400
Molecular FormulaC12H15BrClFN2O
Molecular Weight337.62 g/mol
Exact Mass336.00
IUPAC Name4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H14BrFN2O.ClH/c13-10-2-1-8(7-11(10)14)12(17)16-9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6H2,(H,16,17);1H
InChIKeyGTQZPLWJBSNSKJ-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
4-bromo-N-[(4S)-4-bromodiazetidin-3-yl]-3-fluorobenzamide
CID 174023827
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
3,4-difluoro-N-piperidin-4-ylbenzamide;piperazin-2-ol
CID 174859705
4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
CID 64920634
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride (CID 119386400) is 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is GTQZPLWJBSNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O.ClH/c13-10-2-1-8(7-11(10)14)12(17)16-9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6H2,(H,16,17);1H.
What are the key properties of 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride?
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 337.62 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119386400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).