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

C16H11F3N4O2 — CID 75497339

IUPACN-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-n2cnnc2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H11F3N4O2/c17-16(18,19)25-14-7-2-1-6-13(14)15(24)22-11-4-3-5-12(8-11)23-9-20-21-10-23/h1-10H,(H,22,24)
InChIKeyRZLDNWPSDJRUMZ-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.42
Rot. Bonds4

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

N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide (PubChem CID 75497339) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide
PubChem CID75497339
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC NameN-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-n2cnnc2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H11F3N4O2/c17-16(18,19)25-14-7-2-1-6-13(14)15(24)22-11-4-3-5-12(8-11)23-9-20-21-10-23/h1-10H,(H,22,24)
InChIKeyRZLDNWPSDJRUMZ-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 103732714
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(trifluoromethoxy)benzamide
CID 155630374
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
CID 70206950
N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethoxy)benzamide
CID 67359079
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 112812529
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethoxy)benzamide
CID 122287334
2-bromo-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 107903702
2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide
CID 60732619
2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 16672857

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide (CID 75497339) is N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide is O=C(Nc1cccc(-n2cnnc2)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is RZLDNWPSDJRUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c17-16(18,19)25-14-7-2-1-6-13(14)15(24)22-11-4-3-5-12(8-11)23-9-20-21-10-23/h1-10H,(H,22,24).
What are the key properties of N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide?
N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 348.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 75497339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).