N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide

C22H15F3N2O2S — CID 93127692

IUPACN-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H15F3N2O2S/c23-15-5-1-13(2-6-15)21(29)26-17-8-3-14(4-9-17)22-27(20(28)12-30-22)19-10-7-16(24)11-18(19)25/h1-11,22H,12H2,(H,26,29)/t22-/m1/s1
InChIKeyCXFAGVKZNDIMBX-JOCHJYFZSA-N
MW428.44 g/mol
LogP5.13
Rot. Bonds4

About N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide

N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide (PubChem CID 93127692) has the molecular formula C22H15F3N2O2S and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
PubChem CID93127692
Molecular FormulaC22H15F3N2O2S
Molecular Weight428.44 g/mol
Exact Mass428.08
IUPAC NameN-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H15F3N2O2S/c23-15-5-1-13(2-6-15)21(29)26-17-8-3-14(4-9-17)22-27(20(28)12-30-22)19-10-7-16(24)11-18(19)25/h1-11,22H,12H2,(H,26,29)/t22-/m1/s1
InChIKeyCXFAGVKZNDIMBX-JOCHJYFZSA-N
XLogP5.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127695
4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127493
4-fluoro-N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807109
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
CID 130385754
3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 71956464
N-[4-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93125898
4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124768
N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide
CID 93126255
N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide
CID 42806187
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125744

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide (CID 93127692) is N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide is O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide?
The InChIKey is CXFAGVKZNDIMBX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H15F3N2O2S/c23-15-5-1-13(2-6-15)21(29)26-17-8-3-14(4-9-17)22-27(20(28)12-30-22)19-10-7-16(24)11-18(19)25/h1-11,22H,12H2,(H,26,29)/t22-/m1/s1.
What are the key properties of N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide?
N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide has a molecular weight of 428.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 93127692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).