(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C22H22FN3O2 — CID 58613598

IUPAC(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2NCCc1c[nH]c2cc(F)ccc12)NO
InChIInChI=1S/C22H22FN3O2/c23-17-4-6-19-16(13-25-21(19)12-17)9-10-24-20-7-3-15-11-14(1-5-18(15)20)2-8-22(27)26-28/h1-2,4-6,8,11-13,20,24-25,28H,3,7,9-10H2,(H,26,27)/b8-2+
InChIKeyIJMKGLQFXDOLSF-KRXBUXKQSA-N
MW379.44 g/mol
LogP3.65
Rot. Bonds6

About (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58613598) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID58613598
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2NCCc1c[nH]c2cc(F)ccc12)NO
InChIInChI=1S/C22H22FN3O2/c23-17-4-6-19-16(13-25-21(19)12-17)9-10-24-20-7-3-15-11-14(1-5-18(15)20)2-8-22(27)26-28/h1-2,4-6,8,11-13,20,24-25,28H,3,7,9-10H2,(H,26,27)/b8-2+
InChIKeyIJMKGLQFXDOLSF-KRXBUXKQSA-N
XLogP3.65
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 58613598) is (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCC2NCCc1c[nH]c2cc(F)ccc12)NO.
What is the InChIKey of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is IJMKGLQFXDOLSF-KRXBUXKQSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-17-4-6-19-16(13-25-21(19)12-17)9-10-24-20-7-3-15-11-14(1-5-18(15)20)2-8-22(27)26-28/h1-2,4-6,8,11-13,20,24-25,28H,3,7,9-10H2,(H,26,27)/b8-2+.
What are the key properties of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 379.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58613598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).