N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide

C17H13F4N5O — CID 25215673

IUPACN-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnn(-c3ccc(C(F)(F)F)cc3F)c2N)cc1
InChIInChI=1S/C17H13F4N5O/c1-9(27)23-12-5-2-10(3-6-12)15-16(22)26(25-24-15)14-7-4-11(8-13(14)18)17(19,20)21/h2-8H,22H2,1H3,(H,23,27)
InChIKeyYEZGCZLZALVFGW-UHFFFAOYSA-N
MW379.32 g/mol
LogP3.63
Rot. Bonds3

About N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide

N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide (PubChem CID 25215673) has the molecular formula C17H13F4N5O and a molecular weight of 379.32 g/mol. Its IUPAC name is N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide
PubChem CID25215673
Molecular FormulaC17H13F4N5O
Molecular Weight379.32 g/mol
Exact Mass379.11
IUPAC NameN-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnn(-c3ccc(C(F)(F)F)cc3F)c2N)cc1
InChIInChI=1S/C17H13F4N5O/c1-9(27)23-12-5-2-10(3-6-12)15-16(22)26(25-24-15)14-7-4-11(8-13(14)18)17(19,20)21/h2-8H,22H2,1H3,(H,23,27)
InChIKeyYEZGCZLZALVFGW-UHFFFAOYSA-N
XLogP3.63
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide (CID 25215673) is N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nnn(-c3ccc(C(F)(F)F)cc3F)c2N)cc1.
What is the InChIKey of N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide?
The InChIKey is YEZGCZLZALVFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N5O/c1-9(27)23-12-5-2-10(3-6-12)15-16(22)26(25-24-15)14-7-4-11(8-13(14)18)17(19,20)21/h2-8H,22H2,1H3,(H,23,27).
What are the key properties of N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide?
N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide has a molecular weight of 379.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 25215673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).