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

C19H17F3N4O — CID 154841316

IUPACN-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ncn(C)n1
InChIInChI=1S/C19H17F3N4O/c1-12(17-23-11-26(2)25-17)24-18(27)16-6-4-3-5-15(16)13-7-9-14(10-8-13)19(20,21)22/h3-12H,1-2H3,(H,24,27)
InChIKeyFPIDQELIXYGTOT-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.99
Rot. Bonds4

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

N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 154841316) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID154841316
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ncn(C)n1
InChIInChI=1S/C19H17F3N4O/c1-12(17-23-11-26(2)25-17)24-18(27)16-6-4-3-5-15(16)13-7-9-14(10-8-13)19(20,21)22/h3-12H,1-2H3,(H,24,27)
InChIKeyFPIDQELIXYGTOT-UHFFFAOYSA-N
XLogP3.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 154841316) is N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CC(NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ncn(C)n1.
What is the InChIKey of N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FPIDQELIXYGTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12(17-23-11-26(2)25-17)24-18(27)16-6-4-3-5-15(16)13-7-9-14(10-8-13)19(20,21)22/h3-12H,1-2H3,(H,24,27).
What are the key properties of N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 374.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 154841316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).