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

C14H18BrFN2O — CID 47080623

IUPAC5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-18-6-4-10(5-7-18)9-17-14(19)12-8-11(15)2-3-13(12)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyZJWWPGFIYQKGDA-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.66
Rot. Bonds3

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

5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 47080623) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID47080623
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-18-6-4-10(5-7-18)9-17-14(19)12-8-11(15)2-3-13(12)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyZJWWPGFIYQKGDA-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 51093597
5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide
CID 106128408
5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24690461
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
2-bromo-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 113255665
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
CID 51212142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 47080623) is 5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CN1CCC(CNC(=O)c2cc(Br)ccc2F)CC1.
What is the InChIKey of 5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is ZJWWPGFIYQKGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-18-6-4-10(5-7-18)9-17-14(19)12-8-11(15)2-3-13(12)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 329.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 47080623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).