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

C24H26FN3O3 — CID 58613701

IUPAC(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCc1c[nH]c2cc(F)ccc12)NO
InChIInChI=1S/C24H26FN3O3/c25-19-4-6-20-18(15-26-22(20)14-19)9-10-28(11-12-29)23-7-3-17-13-16(1-5-21(17)23)2-8-24(30)27-31/h1-2,4-6,8,13-15,23,26,29,31H,3,7,9-12H2,(H,27,30)/b8-2+
InChIKeyWVHUIPFLNFXWEE-KRXBUXKQSA-N
MW423.49 g/mol
LogP3.35
Rot. Bonds8

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

(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58613701) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]-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)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID58613701
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCc1c[nH]c2cc(F)ccc12)NO
InChIInChI=1S/C24H26FN3O3/c25-19-4-6-20-18(15-26-22(20)14-19)9-10-28(11-12-29)23-7-3-17-13-16(1-5-21(17)23)2-8-24(30)27-31/h1-2,4-6,8,13-15,23,26,29,31H,3,7,9-12H2,(H,27,30)/b8-2+
InChIKeyWVHUIPFLNFXWEE-KRXBUXKQSA-N
XLogP3.35
TPSA88.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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)ethyl-(2-hydroxyethyl)amino]-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)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 58613701) is (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]-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)ethyl-(2-hydroxyethyl)amino]-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)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCc1c[nH]c2cc(F)ccc12)NO.
What is the InChIKey of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is WVHUIPFLNFXWEE-KRXBUXKQSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-19-4-6-20-18(15-26-22(20)14-19)9-10-28(11-12-29)23-7-3-17-13-16(1-5-21(17)23)2-8-24(30)27-31/h1-2,4-6,8,13-15,23,26,29,31H,3,7,9-12H2,(H,27,30)/b8-2+.
What are the key properties of (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 423.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58613701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).