2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide

C14H18BrFN2O — CID 78911860

IUPAC2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide
SMILESCC1CCCC(C)N1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H18BrFN2O/c1-9-4-3-5-10(2)18(9)17-14(19)12-8-11(16)6-7-13(12)15/h6-10H,3-5H2,1-2H3,(H,17,19)
InChIKeyTYCKXRXIEDSTJZ-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.50
Rot. Bonds2

About 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide

2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide (PubChem CID 78911860) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide
PubChem CID78911860
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide
SMILESCC1CCCC(C)N1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H18BrFN2O/c1-9-4-3-5-10(2)18(9)17-14(19)12-8-11(16)6-7-13(12)15/h6-10H,3-5H2,1-2H3,(H,17,19)
InChIKeyTYCKXRXIEDSTJZ-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-3-carboxamide
CID 107962323
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea
CID 27235394
4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide
CID 78906618
N-(2,6-dimethylpiperidin-1-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388549
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methylbenzamide
CID 83025059
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydroxybenzamide
CID 115279907
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
2-bromo-5-fluoro-N',N'-dimethylbenzohydrazide
CID 9180913
1-[(2-bromo-5-fluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291061
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide (CID 78911860) is 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide is CC1CCCC(C)N1NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide?
The InChIKey is TYCKXRXIEDSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-9-4-3-5-10(2)18(9)17-14(19)12-8-11(16)6-7-13(12)15/h6-10H,3-5H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide?
2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide has a molecular weight of 329.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide is sourced from PubChem (CID 78911860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).