2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide

C14H14F2N2O2 — CID 71781575

IUPAC2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCn1cccc1C(O)CNC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H14F2N2O2/c1-18-7-3-6-11(18)12(19)8-17-14(20)13-9(15)4-2-5-10(13)16/h2-7,12,19H,8H2,1H3,(H,17,20)
InChIKeyGSPVOSIFAXBEPY-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.77
Rot. Bonds4

About 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide

2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide (PubChem CID 71781575) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
PubChem CID71781575
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCn1cccc1C(O)CNC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H14F2N2O2/c1-18-7-3-6-11(18)12(19)8-17-14(20)13-9(15)4-2-5-10(13)16/h2-7,12,19H,8H2,1H3,(H,17,20)
InChIKeyGSPVOSIFAXBEPY-UHFFFAOYSA-N
XLogP1.77
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide (CID 71781575) is 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide is Cn1cccc1C(O)CNC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The InChIKey is GSPVOSIFAXBEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-18-7-3-6-11(18)12(19)8-17-14(20)13-9(15)4-2-5-10(13)16/h2-7,12,19H,8H2,1H3,(H,17,20).
What are the key properties of 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide has a molecular weight of 280.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide is sourced from PubChem (CID 71781575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).