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

C18H15F3N4O — CID 166366217

IUPACN-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cn3cncn3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O/c1-12-5-15(18(19,20)21)8-16(6-12)24-17(26)14-4-2-3-13(7-14)9-25-11-22-10-23-25/h2-8,10-11H,9H2,1H3,(H,24,26)
InChIKeyMOKYRUPAMKEULF-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.91
Rot. Bonds4

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

N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 166366217) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID166366217
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC NameN-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cn3cncn3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O/c1-12-5-15(18(19,20)21)8-16(6-12)24-17(26)14-4-2-3-13(7-14)9-25-11-22-10-23-25/h2-8,10-11H,9H2,1H3,(H,24,26)
InChIKeyMOKYRUPAMKEULF-UHFFFAOYSA-N
XLogP3.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394848
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46957520
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 3159713
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
3-(1,2,4-triazol-1-ylmethyl)benzoate
CID 7219985
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129
5-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55751429
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 55814930
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide (CID 166366217) is N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide is Cc1cc(NC(=O)c2cccc(Cn3cncn3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is MOKYRUPAMKEULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-12-5-15(18(19,20)21)8-16(6-12)24-17(26)14-4-2-3-13(7-14)9-25-11-22-10-23-25/h2-8,10-11H,9H2,1H3,(H,24,26).
What are the key properties of N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 360.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 166366217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).