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

C26H22F3N3O2 — CID 10115802

IUPACN-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)Cc4ccc(C(F)(F)F)cc4)cc3)c2)o1
InChIInChI=1S/C26H22F3N3O2/c1-16-4-7-21(24-31-30-17(2)34-24)14-23(16)19-8-10-20(11-9-19)25(33)32(3)15-18-5-12-22(13-6-18)26(27,28)29/h4-14H,15H2,1-3H3
InChIKeyHWTWBLAJKZCYAY-UHFFFAOYSA-N
MW465.48 g/mol
LogP6.31
Rot. Bonds5

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

N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 10115802) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID10115802
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC NameN-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)Cc4ccc(C(F)(F)F)cc4)cc3)c2)o1
InChIInChI=1S/C26H22F3N3O2/c1-16-4-7-21(24-31-30-17(2)34-24)14-23(16)19-8-10-20(11-9-19)25(33)32(3)15-18-5-12-22(13-6-18)26(27,28)29/h4-14H,15H2,1-3H3
InChIKeyHWTWBLAJKZCYAY-UHFFFAOYSA-N
XLogP6.31
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 10115802) is N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)Cc4ccc(C(F)(F)F)cc4)cc3)c2)o1.
What is the InChIKey of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is HWTWBLAJKZCYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-16-4-7-21(24-31-30-17(2)34-24)14-23(16)19-8-10-20(11-9-19)25(33)32(3)15-18-5-12-22(13-6-18)26(27,28)29/h4-14H,15H2,1-3H3.
What are the key properties of N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 465.48 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 10115802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).