N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide

C21H17Cl3F6N2O2 — CID 66559267

IUPACN-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(N2COC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C21H17Cl3F6N2O2/c1-2-17(33)31-8-11-3-4-13(7-14(11)20(25,26)27)32-9-19(34-10-32,21(28,29)30)12-5-15(22)18(24)16(23)6-12/h3-7H,2,8-10H2,1H3,(H,31,33)
InChIKeyISXDCXPOBXJYIE-UHFFFAOYSA-N
MW549.73 g/mol
LogP6.94
Rot. Bonds5

About N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide

N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 66559267) has the molecular formula C21H17Cl3F6N2O2 and a molecular weight of 549.73 g/mol. Its IUPAC name is N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID66559267
Molecular FormulaC21H17Cl3F6N2O2
Molecular Weight549.73 g/mol
Exact Mass548.03
IUPAC NameN-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(N2COC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C21H17Cl3F6N2O2/c1-2-17(33)31-8-11-3-4-13(7-14(11)20(25,26)27)32-9-19(34-10-32,21(28,29)30)12-5-15(22)18(24)16(23)6-12/h3-7H,2,8-10H2,1H3,(H,31,33)
InChIKeyISXDCXPOBXJYIE-UHFFFAOYSA-N
XLogP6.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.73
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[[(2S)-3,3,3-trifluoro-2-hydroxy-2-(3,4,5-trichlorophenyl)propyl]amino]-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 129386355
N-[[4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3,4,5-trichlorophenyl)propyl]amino]-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 129386356
5-(3,5-Dichlorophenyl)-3-[4-(3-oxopentyl)-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 58319541
3-[4-(Aminomethyl)-3-(trifluoromethyl)phenyl]-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 58319542
3-[4-(4-Oxohexan-2-yl)phenyl]-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 58319551
Tert-butyl 3-[4-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]propanoate
CID 58319555
5-(3,5-Dichlorophenyl)-3-[4-(3-oxobutyl)-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 58319557
4-[5-(3,5-Dichlorophenyl)-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile
CID 58319566
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
[4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine
CID 71466072
2-methyl-1-[6-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-yl]propan-1-one
CID 73506444
N-[4-{[3,3,3-trifluoro-2-hydroxy-2-(3,4,5-trichlorophenyl)propyl]amino}-2-(trifluoromethyl)benzyl]propane amide
CID 86718270

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide (CID 66559267) is N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide is CCC(=O)NCc1ccc(N2COC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.
What is the InChIKey of N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is ISXDCXPOBXJYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3F6N2O2/c1-2-17(33)31-8-11-3-4-13(7-14(11)20(25,26)27)32-9-19(34-10-32,21(28,29)30)12-5-15(22)18(24)16(23)6-12/h3-7H,2,8-10H2,1H3,(H,31,33).
What are the key properties of N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide?
N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 549.73 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 66559267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).