N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide

C19H16F3N3O — CID 47084526

IUPACN-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide
SMILESN#Cc1cc(F)c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(F)c1
InChIInChI=1S/C19H16F3N3O/c20-14-3-1-13(2-4-14)19(26)24-15-5-7-25(8-6-15)18-16(21)9-12(11-23)10-17(18)22/h1-4,9-10,15H,5-8H2,(H,24,26)
InChIKeyCMDZRWQLGLVZTO-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.37
Rot. Bonds3

About N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide

N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide (PubChem CID 47084526) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide
PubChem CID47084526
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide
SMILESN#Cc1cc(F)c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(F)c1
InChIInChI=1S/C19H16F3N3O/c20-14-3-1-13(2-4-14)19(26)24-15-5-7-25(8-6-15)18-16(21)9-12(11-23)10-17(18)22/h1-4,9-10,15H,5-8H2,(H,24,26)
InChIKeyCMDZRWQLGLVZTO-UHFFFAOYSA-N
XLogP3.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide (CID 47084526) is N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide is N#Cc1cc(F)c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(F)c1.
What is the InChIKey of N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is CMDZRWQLGLVZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-14-3-1-13(2-4-14)19(26)24-15-5-7-25(8-6-15)18-16(21)9-12(11-23)10-17(18)22/h1-4,9-10,15H,5-8H2,(H,24,26).
What are the key properties of N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide?
N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 359.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 47084526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).