2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide

C24H20ClFN2OS — CID 5183643

IUPAC2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
SMILESCc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C24H20ClFN2OS/c1-15-9-11-16(12-10-15)22-23(17-5-2-3-8-20(17)28-22)30-14-13-27-24(29)21-18(25)6-4-7-19(21)26/h2-12,28H,13-14H2,1H3,(H,27,29)
InChIKeyBMKHWDJGWHEIQT-UHFFFAOYSA-N
MW438.96 g/mol
LogP6.46
Rot. Bonds6

About 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide

2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide (PubChem CID 5183643) has the molecular formula C24H20ClFN2OS and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
PubChem CID5183643
Molecular FormulaC24H20ClFN2OS
Molecular Weight438.96 g/mol
Exact Mass438.10
IUPAC Name2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
SMILESCc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C24H20ClFN2OS/c1-15-9-11-16(12-10-15)22-23(17-5-2-3-8-20(17)28-22)30-14-13-27-24(29)21-18(25)6-4-7-19(21)26/h2-12,28H,13-14H2,1H3,(H,27,29)
InChIKeyBMKHWDJGWHEIQT-UHFFFAOYSA-N
XLogP6.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]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

Related Compounds

3-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4282547
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-methylbenzamide
CID 4107374
2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 5183642
3-(2-chlorophenyl)-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3281972
N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 4103692
5-chloro-N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 5115206
3-methoxy-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 3249034
5-chloro-2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4090408
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-methylbenzamide
CID 3348721
4-phenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156509
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-5-chloro-2-methoxybenzamide
CID 3513264
N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156506

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide (CID 5183643) is 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide is Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide?
The InChIKey is BMKHWDJGWHEIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2OS/c1-15-9-11-16(12-10-15)22-23(17-5-2-3-8-20(17)28-22)30-14-13-27-24(29)21-18(25)6-4-7-19(21)26/h2-12,28H,13-14H2,1H3,(H,27,29).
What are the key properties of 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide?
2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide has a molecular weight of 438.96 g/mol, XLogP of 6.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide is sourced from PubChem (CID 5183643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).