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

C22H16ClFN2O2S — CID 93125744

IUPAC2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1Cl
InChIInChI=1S/C22H16ClFN2O2S/c23-17-6-2-1-5-16(17)21(28)25-15-11-9-14(10-12-15)22-26(20(27)13-29-22)19-8-4-3-7-18(19)24/h1-12,22H,13H2,(H,25,28)/t22-/m0/s1
InChIKeyMXTNROQSFPLFKX-QFIPXVFZSA-N
MW426.90 g/mol
LogP5.51
Rot. Bonds4

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

2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93125744) has the molecular formula C22H16ClFN2O2S and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93125744
Molecular FormulaC22H16ClFN2O2S
Molecular Weight426.90 g/mol
Exact Mass426.06
IUPAC Name2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1Cl
InChIInChI=1S/C22H16ClFN2O2S/c23-17-6-2-1-5-16(17)21(28)25-15-11-9-14(10-12-15)22-26(20(27)13-29-22)19-8-4-3-7-18(19)24/h1-12,22H,13H2,(H,25,28)/t22-/m0/s1
InChIKeyMXTNROQSFPLFKX-QFIPXVFZSA-N
XLogP5.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide
CID 93126247
2-chloro-N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127527
2-fluoro-N-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125379
2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127283
2-chloro-N-[3-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126881
2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 46075872
N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
CID 93127692
4-fluoro-N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807109
N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127142
N-[4-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127141
N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93126259
N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93124749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93125744) is 2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is MXTNROQSFPLFKX-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H16ClFN2O2S/c23-17-6-2-1-5-16(17)21(28)25-15-11-9-14(10-12-15)22-26(20(27)13-29-22)19-8-4-3-7-18(19)24/h1-12,22H,13H2,(H,25,28)/t22-/m0/s1.
What are the key properties of 2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 426.90 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93125744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).