2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide

C16H12F2N2O3 — CID 90953627

IUPAC2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide
SMILESO=C(Nc1ccc2c[nH]c(O)c2c1)C(O)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O3/c17-9-2-4-11(13(18)5-9)14(21)16(23)20-10-3-1-8-7-19-15(22)12(8)6-10/h1-7,14,19,21-22H,(H,20,23)
InChIKeyKLQYEAWJOCAJKZ-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.82
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide

2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide (PubChem CID 90953627) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide
PubChem CID90953627
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC Name2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide
SMILESO=C(Nc1ccc2c[nH]c(O)c2c1)C(O)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O3/c17-9-2-4-11(13(18)5-9)14(21)16(23)20-10-3-1-8-7-19-15(22)12(8)6-10/h1-7,14,19,21-22H,(H,20,23)
InChIKeyKLQYEAWJOCAJKZ-UHFFFAOYSA-N
XLogP2.82
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide (CID 90953627) is 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide is O=C(Nc1ccc2c[nH]c(O)c2c1)C(O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide?
The InChIKey is KLQYEAWJOCAJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c17-9-2-4-11(13(18)5-9)14(21)16(23)20-10-3-1-8-7-19-15(22)12(8)6-10/h1-7,14,19,21-22H,(H,20,23).
What are the key properties of 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide?
2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide has a molecular weight of 318.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-hydroxy-N-(3-hydroxy-2H-isoindol-5-yl)acetamide is sourced from PubChem (CID 90953627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).