2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide

C20H14F2N4O2 — CID 11703607

IUPAC2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide
SMILESCc1ccn2ncnc(Oc3ccc(NC(=O)c4ccccc4F)cc3F)c12
InChIInChI=1S/C20H14F2N4O2/c1-12-8-9-26-18(12)20(23-11-24-26)28-17-7-6-13(10-16(17)22)25-19(27)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,25,27)
InChIKeyJXKVGKILBZAJFI-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.36
Rot. Bonds4

About 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide

2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide (PubChem CID 11703607) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide
PubChem CID11703607
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide
SMILESCc1ccn2ncnc(Oc3ccc(NC(=O)c4ccccc4F)cc3F)c12
InChIInChI=1S/C20H14F2N4O2/c1-12-8-9-26-18(12)20(23-11-24-26)28-17-7-6-13(10-16(17)22)25-19(27)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,25,27)
InChIKeyJXKVGKILBZAJFI-UHFFFAOYSA-N
XLogP4.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide (CID 11703607) is 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide is Cc1ccn2ncnc(Oc3ccc(NC(=O)c4ccccc4F)cc3F)c12.
What is the InChIKey of 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide?
The InChIKey is JXKVGKILBZAJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-12-8-9-26-18(12)20(23-11-24-26)28-17-7-6-13(10-16(17)22)25-19(27)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,25,27).
What are the key properties of 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide?
2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide has a molecular weight of 380.35 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 11703607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).