2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone

C23H18ClNO3 — CID 7919205

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H18ClNO3/c24-19-9-5-17(6-10-19)23(27)18-7-11-20(12-8-18)28-15-22(26)25-14-13-16-3-1-2-4-21(16)25/h1-12H,13-15H2
InChIKeyHAWYYCMPAWGCIM-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.54
Rot. Bonds5

About 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 7919205) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID7919205
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H18ClNO3/c24-19-9-5-17(6-10-19)23(27)18-7-11-20(12-8-18)28-15-22(26)25-14-13-16-3-1-2-4-21(16)25/h1-12H,13-15H2
InChIKeyHAWYYCMPAWGCIM-UHFFFAOYSA-N
XLogP4.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone (CID 7919205) is 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is HAWYYCMPAWGCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3/c24-19-9-5-17(6-10-19)23(27)18-7-11-20(12-8-18)28-15-22(26)25-14-13-16-3-1-2-4-21(16)25/h1-12H,13-15H2.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 391.85 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 7919205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).