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

C16H13FN2O2 — CID 90954984

IUPAC2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2c[nH]c(O)c2c1
InChIInChI=1S/C16H13FN2O2/c17-12-4-1-10(2-5-12)7-15(20)19-13-6-3-11-9-18-16(21)14(11)8-13/h1-6,8-9,18,21H,7H2,(H,19,20)
InChIKeyDOACUOFQRTXTFI-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.19
Rot. Bonds3

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

2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide (PubChem CID 90954984) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide
PubChem CID90954984
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2c[nH]c(O)c2c1
InChIInChI=1S/C16H13FN2O2/c17-12-4-1-10(2-5-12)7-15(20)19-13-6-3-11-9-18-16(21)14(11)8-13/h1-6,8-9,18,21H,7H2,(H,19,20)
InChIKeyDOACUOFQRTXTFI-UHFFFAOYSA-N
XLogP3.19
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide (CID 90954984) is 2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc2c[nH]c(O)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide?
The InChIKey is DOACUOFQRTXTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-4-1-10(2-5-12)7-15(20)19-13-6-3-11-9-18-16(21)14(11)8-13/h1-6,8-9,18,21H,7H2,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide?
2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide has a molecular weight of 284.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-hydroxy-2H-isoindol-5-yl)acetamide is sourced from PubChem (CID 90954984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).