1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone

C23H20FNO3 — CID 132540914

IUPAC1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1cc([C@H]2c3ccccc3N(C(C)=O)[C@H]2c2ccc(F)cc2)oc1C
InChIInChI=1S/C23H20FNO3/c1-13(26)19-12-21(28-14(19)2)22-18-6-4-5-7-20(18)25(15(3)27)23(22)16-8-10-17(24)11-9-16/h4-12,22-23H,1-3H3/t22-,23+/m1/s1
InChIKeyMVCIPDQPOIUILI-PKTZIBPZSA-N
MW377.42 g/mol
LogP5.17
Rot. Bonds3

About 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone

1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone (PubChem CID 132540914) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
PubChem CID132540914
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1cc([C@H]2c3ccccc3N(C(C)=O)[C@H]2c2ccc(F)cc2)oc1C
InChIInChI=1S/C23H20FNO3/c1-13(26)19-12-21(28-14(19)2)22-18-6-4-5-7-20(18)25(15(3)27)23(22)16-8-10-17(24)11-9-16/h4-12,22-23H,1-3H3/t22-,23+/m1/s1
InChIKeyMVCIPDQPOIUILI-PKTZIBPZSA-N
XLogP5.17
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone (CID 132540914) is 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone is CC(=O)c1cc([C@H]2c3ccccc3N(C(C)=O)[C@H]2c2ccc(F)cc2)oc1C.
What is the InChIKey of 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone?
The InChIKey is MVCIPDQPOIUILI-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-13(26)19-12-21(28-14(19)2)22-18-6-4-5-7-20(18)25(15(3)27)23(22)16-8-10-17(24)11-9-16/h4-12,22-23H,1-3H3/t22-,23+/m1/s1.
What are the key properties of 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone?
1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone has a molecular weight of 377.42 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone is sourced from PubChem (CID 132540914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).