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

C17H13F3N4O — CID 49423447

IUPACN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C17H13F3N4O/c1-10-21-15(24-23-10)11-6-8-12(9-7-11)22-16(25)13-4-2-3-5-14(13)17(18,19)20/h2-9H,1H3,(H,22,25)(H,21,23,24)
InChIKeyKWTOKYBSNNUABZ-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.05
Rot. Bonds3

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

N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 49423447) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID49423447
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C17H13F3N4O/c1-10-21-15(24-23-10)11-6-8-12(9-7-11)22-16(25)13-4-2-3-5-14(13)17(18,19)20/h2-9H,1H3,(H,22,25)(H,21,23,24)
InChIKeyKWTOKYBSNNUABZ-UHFFFAOYSA-N
XLogP4.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 121089741
N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 23647030
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide
CID 49422928
2-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-sulfamoylbenzamide
CID 49424419
N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 84579277
N-[4-(diethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 4785724
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide (CID 49423447) is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide is Cc1nc(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n[nH]1.
What is the InChIKey of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KWTOKYBSNNUABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-10-21-15(24-23-10)11-6-8-12(9-7-11)22-16(25)13-4-2-3-5-14(13)17(18,19)20/h2-9H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 346.31 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 49423447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).