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

C18H16ClNO — CID 2378273

IUPAC2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21
InChIInChI=1S/C18H16ClNO/c1-2-20-15-11-7-6-10-14(15)17(16(21)12-19)18(20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyDARWTGWTJLLAEO-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.75
Rot. Bonds4

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

2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone (PubChem CID 2378273) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone
PubChem CID2378273
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21
InChIInChI=1S/C18H16ClNO/c1-2-20-15-11-7-6-10-14(15)17(16(21)12-19)18(20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyDARWTGWTJLLAEO-UHFFFAOYSA-N
XLogP4.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.75
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-ethyl-2-phenylindol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone (CID 2378273) is 2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone is CCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21.
What is the InChIKey of 2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The InChIKey is DARWTGWTJLLAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-2-20-15-11-7-6-10-14(15)17(16(21)12-19)18(20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone has a molecular weight of 297.79 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-ethyl-2-phenylindol-3-yl)ethanone is sourced from PubChem (CID 2378273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).