N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide

C19H20BrFN2O — CID 42958717

IUPACN-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1Br
InChIInChI=1S/C19H20BrFN2O/c20-18-9-8-15(21)11-17(18)19(24)22-16-7-4-10-23(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,24)
InChIKeyGTMRBOBZIOAKDA-UHFFFAOYSA-N
MW391.28 g/mol
LogP3.98
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide

N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide (PubChem CID 42958717) has the molecular formula C19H20BrFN2O and a molecular weight of 391.28 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide
PubChem CID42958717
Molecular FormulaC19H20BrFN2O
Molecular Weight391.28 g/mol
Exact Mass390.07
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1Br
InChIInChI=1S/C19H20BrFN2O/c20-18-9-8-15(21)11-17(18)19(24)22-16-7-4-10-23(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,24)
InChIKeyGTMRBOBZIOAKDA-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414
N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 141457665
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
CID 86981138
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide
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1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide (CID 42958717) is N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide is O=C(NC1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1Br.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide?
The InChIKey is GTMRBOBZIOAKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O/c20-18-9-8-15(21)11-17(18)19(24)22-16-7-4-10-23(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide?
N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide has a molecular weight of 391.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 42958717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).