(E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C23H27FN2O2 — CID 58614496

IUPAC(E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCCN(CCc1cccc(C)c1)C1CCc2c1ccc(/C=C/C(=O)NO)c2F
InChIInChI=1S/C23H27FN2O2/c1-3-26(14-13-17-6-4-5-16(2)15-17)21-11-10-20-19(21)9-7-18(23(20)24)8-12-22(27)25-28/h4-9,12,15,21,28H,3,10-11,13-14H2,1-2H3,(H,25,27)/b12-8+
InChIKeyZXUQGSJNZMSURN-XYOKQWHBSA-N
MW382.48 g/mol
LogP4.20
Rot. Bonds7

About (E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58614496) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID58614496
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name(E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCCN(CCc1cccc(C)c1)C1CCc2c1ccc(/C=C/C(=O)NO)c2F
InChIInChI=1S/C23H27FN2O2/c1-3-26(14-13-17-6-4-5-16(2)15-17)21-11-10-20-19(21)9-7-18(23(20)24)8-12-22(27)25-28/h4-9,12,15,21,28H,3,10-11,13-14H2,1-2H3,(H,25,27)/b12-8+
InChIKeyZXUQGSJNZMSURN-XYOKQWHBSA-N
XLogP4.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
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-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 58614496) is (E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is CCN(CCc1cccc(C)c1)C1CCc2c1ccc(/C=C/C(=O)NO)c2F.
What is the InChIKey of (E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is ZXUQGSJNZMSURN-XYOKQWHBSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-3-26(14-13-17-6-4-5-16(2)15-17)21-11-10-20-19(21)9-7-18(23(20)24)8-12-22(27)25-28/h4-9,12,15,21,28H,3,10-11,13-14H2,1-2H3,(H,25,27)/b12-8+.
What are the key properties of (E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 382.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[ethyl-[2-(3-methylphenyl)ethyl]amino]-4-fluoro-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58614496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).