3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide

C16H22BrFN2O — CID 110620744

IUPAC3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(C(C)CNC(=O)c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C16H22BrFN2O/c1-11-3-5-20(6-4-11)12(2)10-19-16(21)13-7-14(17)9-15(18)8-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyAROFCEKDJUIYLN-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.44
Rot. Bonds4

About 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide

3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 110620744) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID110620744
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC Name3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(C(C)CNC(=O)c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C16H22BrFN2O/c1-11-3-5-20(6-4-11)12(2)10-19-16(21)13-7-14(17)9-15(18)8-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyAROFCEKDJUIYLN-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 112502468
N-(2-aminobutyl)-3-bromo-5-fluorobenzamide
CID 63731163
3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
CID 114308397
3-bromo-N-(2-chloro-4-methylpentyl)-5-fluorobenzamide
CID 107157516
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-5-fluorobenzamide
CID 62666899
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide
CID 103770519
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 120645515
3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 51126883
4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717834

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide (CID 110620744) is 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide is CC1CCN(C(C)CNC(=O)c2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is AROFCEKDJUIYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c1-11-3-5-20(6-4-11)12(2)10-19-16(21)13-7-14(17)9-15(18)8-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,19,21).
What are the key properties of 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide?
3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 357.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 110620744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).