2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide

C24H19Cl2FN2OS — CID 4604069

IUPAC2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1cc(SCc2ccc(F)cc2)c2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2FN2OS/c25-17-7-10-19(21(26)13-17)24(30)28-11-12-29-14-23(20-3-1-2-4-22(20)29)31-15-16-5-8-18(27)9-6-16/h1-10,13-14H,11-12,15H2,(H,28,30)
InChIKeyLTEBHGKCOJVHQW-UHFFFAOYSA-N
MW473.40 g/mol
LogP6.81
Rot. Bonds7

About 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide

2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide (PubChem CID 4604069) has the molecular formula C24H19Cl2FN2OS and a molecular weight of 473.40 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide
PubChem CID4604069
Molecular FormulaC24H19Cl2FN2OS
Molecular Weight473.40 g/mol
Exact Mass472.06
IUPAC Name2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1cc(SCc2ccc(F)cc2)c2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2FN2OS/c25-17-7-10-19(21(26)13-17)24(30)28-11-12-29-14-23(20-3-1-2-4-22(20)29)31-15-16-5-8-18(27)9-6-16/h1-10,13-14H,11-12,15H2,(H,28,30)
InChIKeyLTEBHGKCOJVHQW-UHFFFAOYSA-N
XLogP6.81
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide (CID 4604069) is 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide is O=C(NCCn1cc(SCc2ccc(F)cc2)c2ccccc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide?
The InChIKey is LTEBHGKCOJVHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN2OS/c25-17-7-10-19(21(26)13-17)24(30)28-11-12-29-14-23(20-3-1-2-4-22(20)29)31-15-16-5-8-18(27)9-6-16/h1-10,13-14H,11-12,15H2,(H,28,30).
What are the key properties of 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide?
2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide has a molecular weight of 473.40 g/mol, XLogP of 6.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[3-[(4-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide is sourced from PubChem (CID 4604069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).