2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide

C20H22FN3O — CID 45270935

IUPAC2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H22FN3O/c1-3-15(4-2)20(25)22-12-14-5-10-19-16(11-14)13-23-24(19)18-8-6-17(21)7-9-18/h5-11,13,15H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyMKJZHIURZNDKLM-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.22
Rot. Bonds6

About 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide

2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide (PubChem CID 45270935) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide
PubChem CID45270935
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H22FN3O/c1-3-15(4-2)20(25)22-12-14-5-10-19-16(11-14)13-23-24(19)18-8-6-17(21)7-9-18/h5-11,13,15H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyMKJZHIURZNDKLM-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide (CID 45270935) is 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide is CCC(CC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide?
The InChIKey is MKJZHIURZNDKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-3-15(4-2)20(25)22-12-14-5-10-19-16(11-14)13-23-24(19)18-8-6-17(21)7-9-18/h5-11,13,15H,3-4,12H2,1-2H3,(H,22,25).
What are the key properties of 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide?
2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide has a molecular weight of 339.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]butanamide is sourced from PubChem (CID 45270935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).