2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride

C15H21BrClFN2O — CID 120670746

IUPAC2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride
SMILESCC1(C)CCCNC1CNC(=O)c1ccc(F)cc1Br.Cl
InChIInChI=1S/C15H20BrFN2O.ClH/c1-15(2)6-3-7-18-13(15)9-19-14(20)11-5-4-10(17)8-12(11)16;/h4-5,8,13,18H,3,6-7,9H2,1-2H3,(H,19,20);1H
InChIKeyZTAZETSEFNLUSI-UHFFFAOYSA-N
MW379.70 g/mol
LogP3.52
Rot. Bonds3

About 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride

2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride (PubChem CID 120670746) has the molecular formula C15H21BrClFN2O and a molecular weight of 379.70 g/mol. Its IUPAC name is 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride
PubChem CID120670746
Molecular FormulaC15H21BrClFN2O
Molecular Weight379.70 g/mol
Exact Mass378.05
IUPAC Name2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride
SMILESCC1(C)CCCNC1CNC(=O)c1ccc(F)cc1Br.Cl
InChIInChI=1S/C15H20BrFN2O.ClH/c1-15(2)6-3-7-18-13(15)9-19-14(20)11-5-4-10(17)8-12(11)16;/h4-5,8,13,18H,3,6-7,9H2,1-2H3,(H,19,20);1H
InChIKeyZTAZETSEFNLUSI-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.70
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluorobenzamide;hydrochloride
CID 120670694
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-fluoro-2-nitrobenzamide;hydrochloride
CID 120670951
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 120670674
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4-nitrobenzamide
CID 120670675
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 120670977
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120670803
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120671060
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
CID 120671025
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methylpyridine-2-carboxamide;dihydrochloride
CID 120671077
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride
CID 120671038

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride (CID 120670746) is 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride is CC1(C)CCCNC1CNC(=O)c1ccc(F)cc1Br.Cl.
What is the InChIKey of 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is ZTAZETSEFNLUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O.ClH/c1-15(2)6-3-7-18-13(15)9-19-14(20)11-5-4-10(17)8-12(11)16;/h4-5,8,13,18H,3,6-7,9H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride?
2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 379.70 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 120670746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).