1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone

C21H21FN2O3 — CID 134044322

IUPAC1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C21H21FN2O3/c1-14(25)24-9-8-16-12-17(4-7-19(16)24)21(26)23-10-11-27-20(13-23)15-2-5-18(22)6-3-15/h2-7,12,20H,8-11,13H2,1H3
InChIKeyYRNYMFQTTCPLRP-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.95
Rot. Bonds2

About 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 134044322) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID134044322
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C21H21FN2O3/c1-14(25)24-9-8-16-12-17(4-7-19(16)24)21(26)23-10-11-27-20(13-23)15-2-5-18(22)6-3-15/h2-7,12,20H,8-11,13H2,1H3
InChIKeyYRNYMFQTTCPLRP-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone (CID 134044322) is 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)ccc21.
What is the InChIKey of 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is YRNYMFQTTCPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-14(25)24-9-8-16-12-17(4-7-19(16)24)21(26)23-10-11-27-20(13-23)15-2-5-18(22)6-3-15/h2-7,12,20H,8-11,13H2,1H3.
What are the key properties of 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 368.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 134044322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).