2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide

C20H19F3N4O — CID 86577055

IUPAC2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)(C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1
InChIInChI=1S/C20H19F3N4O/c1-3-19(2,14-7-5-4-6-8-14)18(28)26-16-11-15(20(21,22)23)9-10-17(16)27-13-24-12-25-27/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeySBWOIHJQVXXBDY-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.59
Rot. Bonds5

About 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide

2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 86577055) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide
PubChem CID86577055
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)(C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1
InChIInChI=1S/C20H19F3N4O/c1-3-19(2,14-7-5-4-6-8-14)18(28)26-16-11-15(20(21,22)23)9-10-17(16)27-13-24-12-25-27/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeySBWOIHJQVXXBDY-UHFFFAOYSA-N
XLogP4.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide (CID 86577055) is 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide is CCC(C)(C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is SBWOIHJQVXXBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-3-19(2,14-7-5-4-6-8-14)18(28)26-16-11-15(20(21,22)23)9-10-17(16)27-13-24-12-25-27/h4-13H,3H2,1-2H3,(H,26,28).
What are the key properties of 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide?
2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 388.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 86577055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).