2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone

C17H14ClNO — CID 2387018

IUPAC2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone
SMILESCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21
InChIInChI=1S/C17H14ClNO/c1-19-14-10-6-5-9-13(14)16(15(20)11-18)17(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyHOAGPQCXLQZDIU-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.27
Rot. Bonds3

About 2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone

2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone (PubChem CID 2387018) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone
PubChem CID2387018
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone
SMILESCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21
InChIInChI=1S/C17H14ClNO/c1-19-14-10-6-5-9-13(14)16(15(20)11-18)17(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyHOAGPQCXLQZDIU-UHFFFAOYSA-N
XLogP4.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-methyl-2-phenylindol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone (CID 2387018) is 2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone is Cn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21.
What is the InChIKey of 2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone?
The InChIKey is HOAGPQCXLQZDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-19-14-10-6-5-9-13(14)16(15(20)11-18)17(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone?
2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone has a molecular weight of 283.76 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-methyl-2-phenylindol-3-yl)ethanone is sourced from PubChem (CID 2387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).