N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C27H24F3N3O2 — CID 10140586

IUPACN-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1
InChIInChI=1S/C27H24F3N3O2/c1-4-33(16-22-7-5-6-8-24(22)27(28,29)30)26(34)20-13-11-19(12-14-20)23-15-21(10-9-17(23)2)25-32-31-18(3)35-25/h5-15H,4,16H2,1-3H3
InChIKeyORHJEOQAOYBEJF-UHFFFAOYSA-N
MW479.50 g/mol
LogP6.70
Rot. Bonds6

About N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 10140586) has the molecular formula C27H24F3N3O2 and a molecular weight of 479.50 g/mol. Its IUPAC name is N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID10140586
Molecular FormulaC27H24F3N3O2
Molecular Weight479.50 g/mol
Exact Mass479.18
IUPAC NameN-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1
InChIInChI=1S/C27H24F3N3O2/c1-4-33(16-22-7-5-6-8-24(22)27(28,29)30)26(34)20-13-11-19(12-14-20)23-15-21(10-9-17(23)2)25-32-31-18(3)35-25/h5-15H,4,16H2,1-3H3
InChIKeyORHJEOQAOYBEJF-UHFFFAOYSA-N
XLogP6.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 10140586) is N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is CCN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1.
What is the InChIKey of N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is ORHJEOQAOYBEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O2/c1-4-33(16-22-7-5-6-8-24(22)27(28,29)30)26(34)20-13-11-19(12-14-20)23-15-21(10-9-17(23)2)25-32-31-18(3)35-25/h5-15H,4,16H2,1-3H3.
What are the key properties of N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 479.50 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 10140586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).