2-(2,6-difluorophenyl)pentanediamide

C11H12F2N2O2 — CID 20546134

IUPAC2-(2,6-difluorophenyl)pentanediamide
SMILESNC(=O)CCC(C(N)=O)c1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O2/c12-7-2-1-3-8(13)10(7)6(11(15)17)4-5-9(14)16/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyAEENDNRFVJKNIC-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.80
Rot. Bonds5

About 2-(2,6-difluorophenyl)pentanediamide

2-(2,6-difluorophenyl)pentanediamide (PubChem CID 20546134) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)pentanediamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)pentanediamide
PubChem CID20546134
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name2-(2,6-difluorophenyl)pentanediamide
SMILESNC(=O)CCC(C(N)=O)c1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O2/c12-7-2-1-3-8(13)10(7)6(11(15)17)4-5-9(14)16/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyAEENDNRFVJKNIC-UHFFFAOYSA-N
XLogP0.80
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)pentanediamide?
The IUPAC name of 2-(2,6-difluorophenyl)pentanediamide (CID 20546134) is 2-(2,6-difluorophenyl)pentanediamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)pentanediamide?
The canonical SMILES for 2-(2,6-difluorophenyl)pentanediamide is NC(=O)CCC(C(N)=O)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)pentanediamide?
The InChIKey is AEENDNRFVJKNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-7-2-1-3-8(13)10(7)6(11(15)17)4-5-9(14)16/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17).
What are the key properties of 2-(2,6-difluorophenyl)pentanediamide?
2-(2,6-difluorophenyl)pentanediamide has a molecular weight of 242.22 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)pentanediamide is sourced from PubChem (CID 20546134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).