2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone

C16H10Cl3NO — CID 103474550

IUPAC2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cn1ccc2cccc(Cl)c21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl3NO/c17-12-5-4-11(8-14(12)19)15(21)9-20-7-6-10-2-1-3-13(18)16(10)20/h1-8H,9H2
InChIKeyRBVBXEZBZCPAFW-UHFFFAOYSA-N
MW338.62 g/mol
LogP5.48
Rot. Bonds3

About 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone

2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 103474550) has the molecular formula C16H10Cl3NO and a molecular weight of 338.62 g/mol. Its IUPAC name is 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone
PubChem CID103474550
Molecular FormulaC16H10Cl3NO
Molecular Weight338.62 g/mol
Exact Mass336.98
IUPAC Name2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(Cn1ccc2cccc(Cl)c21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl3NO/c17-12-5-4-11(8-14(12)19)15(21)9-20-7-6-10-2-1-3-13(18)16(10)20/h1-8H,9H2
InChIKeyRBVBXEZBZCPAFW-UHFFFAOYSA-N
XLogP5.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone (CID 103474550) is 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone is O=C(Cn1ccc2cccc(Cl)c21)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is RBVBXEZBZCPAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO/c17-12-5-4-11(8-14(12)19)15(21)9-20-7-6-10-2-1-3-13(18)16(10)20/h1-8H,9H2.
What are the key properties of 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone?
2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 338.62 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 103474550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).