2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide

C14H15ClFN3O — CID 61124140

IUPAC2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
SMILESCN1CCC(C#N)(NC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H15ClFN3O/c1-19-7-5-14(9-17,6-8-19)18-13(20)12-10(15)3-2-4-11(12)16/h2-4H,5-8H2,1H3,(H,18,20)
InChIKeyOZZIQVQTEMHEGP-UHFFFAOYSA-N
MW295.74 g/mol
LogP2.20
Rot. Bonds2

About 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide

2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide (PubChem CID 61124140) has the molecular formula C14H15ClFN3O and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
PubChem CID61124140
Molecular FormulaC14H15ClFN3O
Molecular Weight295.74 g/mol
Exact Mass295.09
IUPAC Name2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
SMILESCN1CCC(C#N)(NC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H15ClFN3O/c1-19-7-5-14(9-17,6-8-19)18-13(20)12-10(15)3-2-4-11(12)16/h2-4H,5-8H2,1H3,(H,18,20)
InChIKeyOZZIQVQTEMHEGP-UHFFFAOYSA-N
XLogP2.20
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
N-(4-cyano-1-methylpiperidin-4-yl)-2,4-difluoro-5-methylbenzamide
CID 115674649
N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
CID 54904713
2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
CID 60967999
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
CID 60967121
N-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 174359007
N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide
CID 82797779
2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide
CID 110445807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide (CID 61124140) is 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide is CN1CCC(C#N)(NC(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide?
The InChIKey is OZZIQVQTEMHEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-19-7-5-14(9-17,6-8-19)18-13(20)12-10(15)3-2-4-11(12)16/h2-4H,5-8H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide?
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide has a molecular weight of 295.74 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide is sourced from PubChem (CID 61124140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).