2-chloro-1-(1H-indol-3-yl)-2-phenylethanone

C16H12ClNO — CID 3688662

IUPAC2-chloro-1-(1H-indol-3-yl)-2-phenylethanone
SMILESO=C(c1c[nH]c2ccccc12)C(Cl)c1ccccc1
InChIInChI=1S/C16H12ClNO/c17-15(11-6-2-1-3-7-11)16(19)13-10-18-14-9-5-4-8-12(13)14/h1-10,15,18H
InChIKeyASZBJIFVTIEZFN-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.33
Rot. Bonds3

About 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone

2-chloro-1-(1H-indol-3-yl)-2-phenylethanone (PubChem CID 3688662) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-(1H-indol-3-yl)-2-phenylethanone
PubChem CID3688662
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name2-chloro-1-(1H-indol-3-yl)-2-phenylethanone
SMILESO=C(c1c[nH]c2ccccc12)C(Cl)c1ccccc1
InChIInChI=1S/C16H12ClNO/c17-15(11-6-2-1-3-7-11)16(19)13-10-18-14-9-5-4-8-12(13)14/h1-10,15,18H
InChIKeyASZBJIFVTIEZFN-UHFFFAOYSA-N
XLogP4.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone (CID 3688662) is 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone is O=C(c1c[nH]c2ccccc12)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone?
The InChIKey is ASZBJIFVTIEZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-15(11-6-2-1-3-7-11)16(19)13-10-18-14-9-5-4-8-12(13)14/h1-10,15,18H.
What are the key properties of 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone?
2-chloro-1-(1H-indol-3-yl)-2-phenylethanone has a molecular weight of 269.73 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 3688662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).