4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C22H16BrFN2O2S — CID 93124773

IUPAC4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H16BrFN2O2S/c23-16-6-4-14(5-7-16)21(28)25-18-3-1-2-15(12-18)22-26(20(27)13-29-22)19-10-8-17(24)9-11-19/h1-12,22H,13H2,(H,25,28)/t22-/m1/s1
InChIKeyVLARFXNIGACHAP-JOCHJYFZSA-N
MW471.35 g/mol
LogP5.62
Rot. Bonds4

About 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93124773) has the molecular formula C22H16BrFN2O2S and a molecular weight of 471.35 g/mol. Its IUPAC name is 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93124773
Molecular FormulaC22H16BrFN2O2S
Molecular Weight471.35 g/mol
Exact Mass470.01
IUPAC Name4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H16BrFN2O2S/c23-16-6-4-14(5-7-16)21(28)25-18-3-1-2-15(12-18)22-26(20(27)13-29-22)19-10-8-17(24)9-11-19/h1-12,22H,13H2,(H,25,28)/t22-/m1/s1
InChIKeyVLARFXNIGACHAP-JOCHJYFZSA-N
XLogP5.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.35
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
CID 42804661
3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127167
N-[3-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127627
N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93127885
4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126951
N-[3-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93125889
4-chloro-N-[3-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125852
N-[3-[(2S)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127630
4-tert-butyl-N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42805286
2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 93127005
3-fluoro-N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127958
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93125713

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93124773) is 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is VLARFXNIGACHAP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H16BrFN2O2S/c23-16-6-4-14(5-7-16)21(28)25-18-3-1-2-15(12-18)22-26(20(27)13-29-22)19-10-8-17(24)9-11-19/h1-12,22H,13H2,(H,25,28)/t22-/m1/s1.
What are the key properties of 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 471.35 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93124773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).