3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide

C18H14F4N4O — CID 146152245

IUPAC3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)n1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F4N4O/c19-14-9-12(8-13(10-14)18(20,21)22)17(27)23-7-6-15-11-24-26(25-15)16-4-2-1-3-5-16/h1-5,8-11H,6-7H2,(H,23,27)
InChIKeyQZBMOUWHPZFSBT-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.40
Rot. Bonds5

About 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide (PubChem CID 146152245) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide
PubChem CID146152245
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC Name3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)n1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F4N4O/c19-14-9-12(8-13(10-14)18(20,21)22)17(27)23-7-6-15-11-24-26(25-15)16-4-2-1-3-5-16/h1-5,8-11H,6-7H2,(H,23,27)
InChIKeyQZBMOUWHPZFSBT-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152232
3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152234
2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152227
4-[(2-phenyltriazol-4-yl)methylcarbamoyl]benzoic acid
CID 167931495
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
3-[[(2-phenyltriazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614443
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 91239685
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide (CID 146152245) is 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide is O=C(NCCc1cnn(-c2ccccc2)n1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is QZBMOUWHPZFSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c19-14-9-12(8-13(10-14)18(20,21)22)17(27)23-7-6-15-11-24-26(25-15)16-4-2-1-3-5-16/h1-5,8-11H,6-7H2,(H,23,27).
What are the key properties of 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 378.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 146152245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).