2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide

C23H17ClF2N2O3 — CID 74221641

IUPAC2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C23H17ClF2N2O3/c24-19-4-2-1-3-18(19)21-23(14-5-9-16(25)10-6-14,15-7-11-17(26)12-8-15)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
InChIKeyDMUBQSIUQZPUTR-NRFANRHFSA-N
MW442.85 g/mol
LogP4.54
Rot. Bonds5

About 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide

2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide (PubChem CID 74221641) has the molecular formula C23H17ClF2N2O3 and a molecular weight of 442.85 g/mol. Its IUPAC name is 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide
PubChem CID74221641
Molecular FormulaC23H17ClF2N2O3
Molecular Weight442.85 g/mol
Exact Mass442.09
IUPAC Name2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C23H17ClF2N2O3/c24-19-4-2-1-3-18(19)21-23(14-5-9-16(25)10-6-14,15-7-11-17(26)12-8-15)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
InChIKeyDMUBQSIUQZPUTR-NRFANRHFSA-N
XLogP4.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide (CID 74221641) is 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The canonical SMILES for 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide is NC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccccc1Cl.
What is the InChIKey of 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The InChIKey is DMUBQSIUQZPUTR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H17ClF2N2O3/c24-19-4-2-1-3-18(19)21-23(14-5-9-16(25)10-6-14,15-7-11-17(26)12-8-15)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide has a molecular weight of 442.85 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide is sourced from PubChem (CID 74221641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).