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

C24H27FN2O3 — CID 92549936

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C24H27FN2O3/c1-17(28)27-13-9-18-15-19(3-8-22(18)27)23(29)16-26-12-2-10-24(30,11-14-26)20-4-6-21(25)7-5-20/h3-8,15,30H,2,9-14,16H2,1H3/t24-/m1/s1
InChIKeyUHWJZRWCOIZRNI-XMMPIXPASA-N
MW410.49 g/mol
LogP3.29
Rot. Bonds4

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

1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone (PubChem CID 92549936) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone
PubChem CID92549936
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C24H27FN2O3/c1-17(28)27-13-9-18-15-19(3-8-22(18)27)23(29)16-26-12-2-10-24(30,11-14-26)20-4-6-21(25)7-5-20/h3-8,15,30H,2,9-14,16H2,1H3/t24-/m1/s1
InChIKeyUHWJZRWCOIZRNI-XMMPIXPASA-N
XLogP3.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone (CID 92549936) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone is CC(=O)N1CCc2cc(C(=O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone?
The InChIKey is UHWJZRWCOIZRNI-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-17(28)27-13-9-18-15-19(3-8-22(18)27)23(29)16-26-12-2-10-24(30,11-14-26)20-4-6-21(25)7-5-20/h3-8,15,30H,2,9-14,16H2,1H3/t24-/m1/s1.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone?
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone has a molecular weight of 410.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone is sourced from PubChem (CID 92549936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).