N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide

C22H22F3N3O4 — CID 14279422

IUPACN-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide
SMILESCC(Cc1ccc(C(=O)NCC(N)=O)cc1)N1CC(c2cccc(C(F)(F)F)c2)OC1=O
InChIInChI=1S/C22H22F3N3O4/c1-13(9-14-5-7-15(8-6-14)20(30)27-11-19(26)29)28-12-18(32-21(28)31)16-3-2-4-17(10-16)22(23,24)25/h2-8,10,13,18H,9,11-12H2,1H3,(H2,26,29)(H,27,30)
InChIKeyWLKZFISFTANTEF-UHFFFAOYSA-N
MW449.43 g/mol
LogP3.05
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide

N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide (PubChem CID 14279422) has the molecular formula C22H22F3N3O4 and a molecular weight of 449.43 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide
PubChem CID14279422
Molecular FormulaC22H22F3N3O4
Molecular Weight449.43 g/mol
Exact Mass449.16
IUPAC NameN-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide
SMILESCC(Cc1ccc(C(=O)NCC(N)=O)cc1)N1CC(c2cccc(C(F)(F)F)c2)OC1=O
InChIInChI=1S/C22H22F3N3O4/c1-13(9-14-5-7-15(8-6-14)20(30)27-11-19(26)29)28-12-18(32-21(28)31)16-3-2-4-17(10-16)22(23,24)25/h2-8,10,13,18H,9,11-12H2,1H3,(H2,26,29)(H,27,30)
InChIKeyWLKZFISFTANTEF-UHFFFAOYSA-N
XLogP3.05
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide (CID 14279422) is N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide is CC(Cc1ccc(C(=O)NCC(N)=O)cc1)N1CC(c2cccc(C(F)(F)F)c2)OC1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide?
The InChIKey is WLKZFISFTANTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O4/c1-13(9-14-5-7-15(8-6-14)20(30)27-11-19(26)29)28-12-18(32-21(28)31)16-3-2-4-17(10-16)22(23,24)25/h2-8,10,13,18H,9,11-12H2,1H3,(H2,26,29)(H,27,30).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide has a molecular weight of 449.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]propyl]benzamide is sourced from PubChem (CID 14279422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).