(E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide

C15H15F2N3 — CID 130341415

IUPAC(E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide
SMILESC=C(/N=C(N)/C(F)=C\C)c1c[nH]c2c(F)cc(C)cc12
InChIInChI=1S/C15H15F2N3/c1-4-12(16)15(18)20-9(3)11-7-19-14-10(11)5-8(2)6-13(14)17/h4-7,19H,3H2,1-2H3,(H2,18,20)/b12-4+
InChIKeyALIBWUISVBDJOV-UUILKARUSA-N
MW275.30 g/mol
LogP3.82
Rot. Bonds3

About (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide

(E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide (PubChem CID 130341415) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide.

Molecular Properties

Compound Name(E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide
PubChem CID130341415
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide
SMILESC=C(/N=C(N)/C(F)=C\C)c1c[nH]c2c(F)cc(C)cc12
InChIInChI=1S/C15H15F2N3/c1-4-12(16)15(18)20-9(3)11-7-19-14-10(11)5-8(2)6-13(14)17/h4-7,19H,3H2,1-2H3,(H2,18,20)/b12-4+
InChIKeyALIBWUISVBDJOV-UUILKARUSA-N
XLogP3.82
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide?
The IUPAC name of (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide (CID 130341415) is (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide.
What is the SMILES notation for (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide?
The canonical SMILES for (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide is C=C(/N=C(N)/C(F)=C\C)c1c[nH]c2c(F)cc(C)cc12.
What is the InChIKey of (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide?
The InChIKey is ALIBWUISVBDJOV-UUILKARUSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-4-12(16)15(18)20-9(3)11-7-19-14-10(11)5-8(2)6-13(14)17/h4-7,19H,3H2,1-2H3,(H2,18,20)/b12-4+.
What are the key properties of (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide?
(E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide has a molecular weight of 275.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N'-[1-(7-fluoro-5-methyl-1H-indol-3-yl)ethenyl]but-2-enimidamide is sourced from PubChem (CID 130341415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).