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

C19H17F3N4O2 — CID 75396439

IUPACN-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESCn1nc(-c2ccccc2)nc1CCNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N4O2/c1-26-16(24-17(25-26)13-5-3-2-4-6-13)11-12-23-18(27)14-7-9-15(10-8-14)28-19(20,21)22/h2-10H,11-12H2,1H3,(H,23,27)
InChIKeyIWFGMBZYAFMCBP-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.35
Rot. Bonds6

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

N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 75396439) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID75396439
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESCn1nc(-c2ccccc2)nc1CCNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N4O2/c1-26-16(24-17(25-26)13-5-3-2-4-6-13)11-12-23-18(27)14-7-9-15(10-8-14)28-19(20,21)22/h2-10H,11-12H2,1H3,(H,23,27)
InChIKeyIWFGMBZYAFMCBP-UHFFFAOYSA-N
XLogP3.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
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2-[2-[[4-(trifluoromethoxy)benzoyl]amino]ethylsulfanyl]acetic acid
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4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
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CID 47043794
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
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CID 27823943
N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 21452931
N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 146126691
3-[3-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 155544375
4-methoxy-N-[2-[6-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 18562959

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide (CID 75396439) is N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide is Cn1nc(-c2ccccc2)nc1CCNC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is IWFGMBZYAFMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-26-16(24-17(25-26)13-5-3-2-4-6-13)11-12-23-18(27)14-7-9-15(10-8-14)28-19(20,21)22/h2-10H,11-12H2,1H3,(H,23,27).
What are the key properties of N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide?
N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 390.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 75396439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).