N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide

C24H17ClFN3O2S — CID 45029379

IUPACN-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN1C(=O)CSC1c1ccc(Cl)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C24H17ClFN3O2S/c25-16-8-6-15(7-9-16)24-29(20(30)13-32-24)28-23(31)22-21(14-4-2-1-3-5-14)18-12-17(26)10-11-19(18)27-22/h1-12,24,27H,13H2,(H,28,31)
InChIKeyPZOIITMEEVXZSU-UHFFFAOYSA-N
MW465.94 g/mol
LogP5.55
Rot. Bonds4

About N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide

N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide (PubChem CID 45029379) has the molecular formula C24H17ClFN3O2S and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
PubChem CID45029379
Molecular FormulaC24H17ClFN3O2S
Molecular Weight465.94 g/mol
Exact Mass465.07
IUPAC NameN-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN1C(=O)CSC1c1ccc(Cl)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C24H17ClFN3O2S/c25-16-8-6-15(7-9-16)24-29(20(30)13-32-24)28-23(31)22-21(14-4-2-1-3-5-14)18-12-17(26)10-11-19(18)27-22/h1-12,24,27H,13H2,(H,28,31)
InChIKeyPZOIITMEEVXZSU-UHFFFAOYSA-N
XLogP5.55
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide (CID 45029379) is N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide is O=C(NN1C(=O)CSC1c1ccc(Cl)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is PZOIITMEEVXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O2S/c25-16-8-6-15(7-9-16)24-29(20(30)13-32-24)28-23(31)22-21(14-4-2-1-3-5-14)18-12-17(26)10-11-19(18)27-22/h1-12,24,27H,13H2,(H,28,31).
What are the key properties of N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide?
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 45029379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).