N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide

C22H19Cl2F3N2O3 — CID 70979523

IUPACN-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCC(=O)NC1CCc2cc(N3CC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)OC3=O)ccc21
InChIInChI=1S/C22H19Cl2F3N2O3/c1-2-19(30)28-18-6-3-12-7-16(4-5-17(12)18)29-11-21(22(25,26)27,32-20(29)31)13-8-14(23)10-15(24)9-13/h4-5,7-10,18H,2-3,6,11H2,1H3,(H,28,30)
InChIKeyDYOFDMLREKJHMM-UHFFFAOYSA-N
MW487.31 g/mol
LogP5.92
Rot. Bonds4

About N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide

N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 70979523) has the molecular formula C22H19Cl2F3N2O3 and a molecular weight of 487.31 g/mol. Its IUPAC name is N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound NameN-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID70979523
Molecular FormulaC22H19Cl2F3N2O3
Molecular Weight487.31 g/mol
Exact Mass486.07
IUPAC NameN-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCC(=O)NC1CCc2cc(N3CC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)OC3=O)ccc21
InChIInChI=1S/C22H19Cl2F3N2O3/c1-2-19(30)28-18-6-3-12-7-16(4-5-17(12)18)29-11-21(22(25,26)27,32-20(29)31)13-8-14(23)10-15(24)9-13/h4-5,7-10,18H,2-3,6,11H2,1H3,(H,28,30)
InChIKeyDYOFDMLREKJHMM-UHFFFAOYSA-N
XLogP5.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.31
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide (CID 70979523) is N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide is CCC(=O)NC1CCc2cc(N3CC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)OC3=O)ccc21.
What is the InChIKey of N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is DYOFDMLREKJHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N2O3/c1-2-19(30)28-18-6-3-12-7-16(4-5-17(12)18)29-11-21(22(25,26)27,32-20(29)31)13-8-14(23)10-15(24)9-13/h4-5,7-10,18H,2-3,6,11H2,1H3,(H,28,30).
What are the key properties of N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 487.31 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 70979523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).