2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide

C13H14F2N2O — CID 175939272

IUPAC2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide
SMILESNC(=O)c1c(F)cc(C=C2CCNCC2)cc1F
InChIInChI=1S/C13H14F2N2O/c14-10-6-9(5-8-1-3-17-4-2-8)7-11(15)12(10)13(16)18/h5-7,17H,1-4H2,(H2,16,18)
InChIKeyHEFVUOBXESWPJZ-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.83
Rot. Bonds2

About 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide

2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide (PubChem CID 175939272) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide
PubChem CID175939272
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide
SMILESNC(=O)c1c(F)cc(C=C2CCNCC2)cc1F
InChIInChI=1S/C13H14F2N2O/c14-10-6-9(5-8-1-3-17-4-2-8)7-11(15)12(10)13(16)18/h5-7,17H,1-4H2,(H2,16,18)
InChIKeyHEFVUOBXESWPJZ-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide?
The IUPAC name of 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide (CID 175939272) is 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide.
What is the SMILES notation for 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide?
The canonical SMILES for 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide is NC(=O)c1c(F)cc(C=C2CCNCC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide?
The InChIKey is HEFVUOBXESWPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c14-10-6-9(5-8-1-3-17-4-2-8)7-11(15)12(10)13(16)18/h5-7,17H,1-4H2,(H2,16,18).
What are the key properties of 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide?
2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide has a molecular weight of 252.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(piperidin-4-ylidenemethyl)benzamide is sourced from PubChem (CID 175939272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).