4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide

C19H17F4N3O — CID 46842969

IUPAC4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide
SMILESCC(CC(F)(F)F)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17F4N3O/c1-12(9-19(21,22)23)18(27)24-10-13-2-7-17-14(8-13)11-25-26(17)16-5-3-15(20)4-6-16/h2-8,11-12H,9-10H2,1H3,(H,24,27)
InChIKeyRXTGVTGYHJEMMA-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.37
Rot. Bonds5

About 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide

4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide (PubChem CID 46842969) has the molecular formula C19H17F4N3O and a molecular weight of 379.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide
PubChem CID46842969
Molecular FormulaC19H17F4N3O
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC Name4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide
SMILESCC(CC(F)(F)F)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17F4N3O/c1-12(9-19(21,22)23)18(27)24-10-13-2-7-17-14(8-13)11-25-26(17)16-5-3-15(20)4-6-16/h2-8,11-12H,9-10H2,1H3,(H,24,27)
InChIKeyRXTGVTGYHJEMMA-UHFFFAOYSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide (CID 46842969) is 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide is CC(CC(F)(F)F)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide?
The InChIKey is RXTGVTGYHJEMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O/c1-12(9-19(21,22)23)18(27)24-10-13-2-7-17-14(8-13)11-25-26(17)16-5-3-15(20)4-6-16/h2-8,11-12H,9-10H2,1H3,(H,24,27).
What are the key properties of 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide?
4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide has a molecular weight of 379.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide is sourced from PubChem (CID 46842969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).