2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide

C16H12F2N2O2 — CID 178005107

IUPAC2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C(c2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C16H12F2N2O2/c17-10-3-1-9(2-4-10)15-12-7-11(18)5-6-13(12)20(16(15)22)8-14(19)21/h1-7,15H,8H2,(H2,19,21)
InChIKeyCXOHIAQHCXDXLK-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.93
Rot. Bonds3

About 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide

2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide (PubChem CID 178005107) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide
PubChem CID178005107
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C(c2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C16H12F2N2O2/c17-10-3-1-9(2-4-10)15-12-7-11(18)5-6-13(12)20(16(15)22)8-14(19)21/h1-7,15H,8H2,(H2,19,21)
InChIKeyCXOHIAQHCXDXLK-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide?
The IUPAC name of 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide (CID 178005107) is 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide.
What is the SMILES notation for 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide?
The canonical SMILES for 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide is NC(=O)CN1C(=O)C(c2ccc(F)cc2)c2cc(F)ccc21.
What is the InChIKey of 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide?
The InChIKey is CXOHIAQHCXDXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c17-10-3-1-9(2-4-10)15-12-7-11(18)5-6-13(12)20(16(15)22)8-14(19)21/h1-7,15H,8H2,(H2,19,21).
What are the key properties of 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide?
2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide has a molecular weight of 302.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide is sourced from PubChem (CID 178005107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).