2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide

C19H15F2NO2 — CID 3544778

IUPAC2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)c1c(F)cccc1F
InChIInChI=1S/C19H15F2NO2/c20-15-6-3-7-16(21)18(15)19(24)22-11-17(23)14-9-8-12-4-1-2-5-13(12)10-14/h1-10,17,23H,11H2,(H,22,24)
InChIKeyAIYDWERSTIWQPX-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.58
Rot. Bonds4

About 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide

2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide (PubChem CID 3544778) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide
PubChem CID3544778
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)c1c(F)cccc1F
InChIInChI=1S/C19H15F2NO2/c20-15-6-3-7-16(21)18(15)19(24)22-11-17(23)14-9-8-12-4-1-2-5-13(12)10-14/h1-10,17,23H,11H2,(H,22,24)
InChIKeyAIYDWERSTIWQPX-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide (CID 3544778) is 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide is O=C(NCC(O)c1ccc2ccccc2c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide?
The InChIKey is AIYDWERSTIWQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2/c20-15-6-3-7-16(21)18(15)19(24)22-11-17(23)14-9-8-12-4-1-2-5-13(12)10-14/h1-10,17,23H,11H2,(H,22,24).
What are the key properties of 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide?
2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)benzamide is sourced from PubChem (CID 3544778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).