5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole

C19H15ClFNS — CID 138662832

IUPAC5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole
SMILESCCn1c(C)c(-c2csc3ccc(F)cc23)c2cc(Cl)ccc21
InChIInChI=1S/C19H15ClFNS/c1-3-22-11(2)19(15-8-12(20)4-6-17(15)22)16-10-23-18-7-5-13(21)9-14(16)18/h4-10H,3H2,1-2H3
InChIKeyKXMUICBAAXPFLB-UHFFFAOYSA-N
MW343.85 g/mol
LogP6.64
Rot. Bonds2

About 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole

5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole (PubChem CID 138662832) has the molecular formula C19H15ClFNS and a molecular weight of 343.85 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole
PubChem CID138662832
Molecular FormulaC19H15ClFNS
Molecular Weight343.85 g/mol
Exact Mass343.06
IUPAC Name5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole
SMILESCCn1c(C)c(-c2csc3ccc(F)cc23)c2cc(Cl)ccc21
InChIInChI=1S/C19H15ClFNS/c1-3-22-11(2)19(15-8-12(20)4-6-17(15)22)16-10-23-18-7-5-13(21)9-14(16)18/h4-10H,3H2,1-2H3
InChIKeyKXMUICBAAXPFLB-UHFFFAOYSA-N
XLogP6.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.85
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole?
The IUPAC name of 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole (CID 138662832) is 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole.
What is the SMILES notation for 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole?
The canonical SMILES for 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole is CCn1c(C)c(-c2csc3ccc(F)cc23)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole?
The InChIKey is KXMUICBAAXPFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNS/c1-3-22-11(2)19(15-8-12(20)4-6-17(15)22)16-10-23-18-7-5-13(21)9-14(16)18/h4-10H,3H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole?
5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole has a molecular weight of 343.85 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole is sourced from PubChem (CID 138662832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).