N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide

C23H25F3N6O2 — CID 27221691

IUPACN-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C23H25F3N6O2/c1-3-10-31(12-21(33)29-18-7-5-4-6-16(18)2)13-22(34)30-19-11-17(23(24,25)26)8-9-20(19)32-15-27-14-28-32/h4-9,11,14-15H,3,10,12-13H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyQKWZWUKRCZMZJA-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.88
Rot. Bonds9

About N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide

N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide (PubChem CID 27221691) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide
PubChem CID27221691
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC NameN-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C23H25F3N6O2/c1-3-10-31(12-21(33)29-18-7-5-4-6-16(18)2)13-22(34)30-19-11-17(23(24,25)26)8-9-20(19)32-15-27-14-28-32/h4-9,11,14-15H,3,10,12-13H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyQKWZWUKRCZMZJA-UHFFFAOYSA-N
XLogP3.88
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide (CID 27221691) is N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1.
What is the InChIKey of N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide?
The InChIKey is QKWZWUKRCZMZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-3-10-31(12-21(33)29-18-7-5-4-6-16(18)2)13-22(34)30-19-11-17(23(24,25)26)8-9-20(19)32-15-27-14-28-32/h4-9,11,14-15H,3,10,12-13H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide?
N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide has a molecular weight of 474.49 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-propylamino]acetamide is sourced from PubChem (CID 27221691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).