2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide

C14H15BrFN3O — CID 60967999

IUPAC2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
SMILESCN1CCC(C#N)(NC(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C14H15BrFN3O/c1-19-6-4-14(9-17,5-7-19)18-13(20)11-8-10(16)2-3-12(11)15/h2-3,8H,4-7H2,1H3,(H,18,20)
InChIKeyNCHHNXFNJSSXIV-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.31
Rot. Bonds2

About 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide

2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide (PubChem CID 60967999) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
PubChem CID60967999
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
SMILESCN1CCC(C#N)(NC(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C14H15BrFN3O/c1-19-6-4-14(9-17,5-7-19)18-13(20)11-8-10(16)2-3-12(11)15/h2-3,8H,4-7H2,1H3,(H,18,20)
InChIKeyNCHHNXFNJSSXIV-UHFFFAOYSA-N
XLogP2.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-cyanothiolan-3-yl)-5-fluorobenzamide
CID 54877568
N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide
CID 115674649
N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
CID 60967121
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
CID 54904713
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
CID 60967528
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
N-(1,4-dimethylpiperidin-4-yl)-5-fluoro-2-methylbenzamide
CID 134434469
3-bromo-N-(1-cyano-4-methylcyclohexyl)-2-fluorobenzamide
CID 107951120
3-bromo-N-(3-cyanothiolan-3-yl)-2-fluorobenzamide
CID 106547570

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide (CID 60967999) is 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide is CN1CCC(C#N)(NC(=O)c2cc(F)ccc2Br)CC1.
What is the InChIKey of 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide?
The InChIKey is NCHHNXFNJSSXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-19-6-4-14(9-17,5-7-19)18-13(20)11-8-10(16)2-3-12(11)15/h2-3,8H,4-7H2,1H3,(H,18,20).
What are the key properties of 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide?
2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide has a molecular weight of 340.20 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide is sourced from PubChem (CID 60967999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).