N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide

C23H25Cl2F3N2O2 — CID 46917463

IUPACN-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C2CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)cc1C
InChIInChI=1S/C23H25Cl2F3N2O2/c1-5-14(3)29-21(31)19-7-6-15(8-13(19)2)20-12-22(23(26,27)28,32-30(20)4)16-9-17(24)11-18(25)10-16/h6-11,14,20H,5,12H2,1-4H3,(H,29,31)
InChIKeyAYLRWQBXLSGRLT-UHFFFAOYSA-N
MW489.37 g/mol
LogP6.60
Rot. Bonds5

About N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide

N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide (PubChem CID 46917463) has the molecular formula C23H25Cl2F3N2O2 and a molecular weight of 489.37 g/mol. Its IUPAC name is N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide
PubChem CID46917463
Molecular FormulaC23H25Cl2F3N2O2
Molecular Weight489.37 g/mol
Exact Mass488.12
IUPAC NameN-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C2CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)cc1C
InChIInChI=1S/C23H25Cl2F3N2O2/c1-5-14(3)29-21(31)19-7-6-15(8-13(19)2)20-12-22(23(26,27)28,32-30(20)4)16-9-17(24)11-18(25)10-16/h6-11,14,20H,5,12H2,1-4H3,(H,29,31)
InChIKeyAYLRWQBXLSGRLT-UHFFFAOYSA-N
XLogP6.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.37
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide?
The IUPAC name of N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide (CID 46917463) is N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide is CCC(C)NC(=O)c1ccc(C2CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)cc1C.
What is the InChIKey of N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide?
The InChIKey is AYLRWQBXLSGRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2F3N2O2/c1-5-14(3)29-21(31)19-7-6-15(8-13(19)2)20-12-22(23(26,27)28,32-30(20)4)16-9-17(24)11-18(25)10-16/h6-11,14,20H,5,12H2,1-4H3,(H,29,31).
What are the key properties of N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide?
N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide has a molecular weight of 489.37 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 46917463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).