(2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone

C15H11Cl2NO — CID 819675

IUPAC(2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCc2ccccc21
InChIInChI=1S/C15H11Cl2NO/c16-11-5-6-12(13(17)9-11)15(19)18-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8H2
InChIKeyXIIJGAJRLXHGBE-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.20
Rot. Bonds1

About (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone

(2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 819675) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID819675
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name(2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCc2ccccc21
InChIInChI=1S/C15H11Cl2NO/c16-11-5-6-12(13(17)9-11)15(19)18-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8H2
InChIKeyXIIJGAJRLXHGBE-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone (CID 819675) is (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCc2ccccc21.
What is the InChIKey of (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is XIIJGAJRLXHGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-11-5-6-12(13(17)9-11)15(19)18-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8H2.
What are the key properties of (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
(2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 292.17 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 819675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).