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

C15H12ClNO — CID 792965

IUPAC(4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C15H12ClNO/c16-13-7-5-12(6-8-13)15(18)17-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2
InChIKeyHOZHAYZUTHDZCJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.54
Rot. Bonds1

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

(4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 792965) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID792965
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C15H12ClNO/c16-13-7-5-12(6-8-13)15(18)17-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2
InChIKeyHOZHAYZUTHDZCJ-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone (CID 792965) is (4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCc2ccccc21.
What is the InChIKey of (4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is HOZHAYZUTHDZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-7-5-12(6-8-13)15(18)17-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2.
What are the key properties of (4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone?
(4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 257.72 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 792965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).