2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone

C16H11ClFNO — CID 4962309

IUPAC2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
SMILESO=C(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H11ClFNO/c17-9-14(20)15-12-3-1-2-4-13(12)19-16(15)10-5-7-11(18)8-6-10/h1-8,19H,9H2
InChIKeyDOHGMVUWQOAZNV-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.40
Rot. Bonds3

About 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone

2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone (PubChem CID 4962309) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
PubChem CID4962309
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
SMILESO=C(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H11ClFNO/c17-9-14(20)15-12-3-1-2-4-13(12)19-16(15)10-5-7-11(18)8-6-10/h1-8,19H,9H2
InChIKeyDOHGMVUWQOAZNV-UHFFFAOYSA-N
XLogP4.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.40
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-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone?
The IUPAC name of 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone (CID 4962309) is 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone?
The canonical SMILES for 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone is O=C(CCl)c1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone?
The InChIKey is DOHGMVUWQOAZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-9-14(20)15-12-3-1-2-4-13(12)19-16(15)10-5-7-11(18)8-6-10/h1-8,19H,9H2.
What are the key properties of 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone?
2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone has a molecular weight of 287.72 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 4962309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).