3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide

C14H14F2N2O2 — CID 71781576

IUPAC3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCn1cccc1C(O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2/c1-18-6-2-3-12(18)13(19)8-17-14(20)9-4-5-10(15)11(16)7-9/h2-7,13,19H,8H2,1H3,(H,17,20)
InChIKeyGEWLTFZEWAKQJD-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.77
Rot. Bonds4

About 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide

3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide (PubChem CID 71781576) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
PubChem CID71781576
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCn1cccc1C(O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2/c1-18-6-2-3-12(18)13(19)8-17-14(20)9-4-5-10(15)11(16)7-9/h2-7,13,19H,8H2,1H3,(H,17,20)
InChIKeyGEWLTFZEWAKQJD-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 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide (CID 71781576) is 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide is Cn1cccc1C(O)CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The InChIKey is GEWLTFZEWAKQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-18-6-2-3-12(18)13(19)8-17-14(20)9-4-5-10(15)11(16)7-9/h2-7,13,19H,8H2,1H3,(H,17,20).
What are the key properties of 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
3,4-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 3,4-difluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide is sourced from PubChem (CID 71781576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).