(E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide

C23H26FN3O2 — CID 53363805

IUPAC(E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1[nH]c2ccccc2c1CCN(CCF)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C23H26FN3O2/c1-17-20(21-4-2-3-5-22(21)25-17)12-14-27(15-13-24)16-19-8-6-18(7-9-19)10-11-23(28)26-29/h2-11,25,29H,12-16H2,1H3,(H,26,28)/b11-10+
InChIKeyRYJKZDLYHRDHFV-ZHACJKMWSA-N
MW395.48 g/mol
LogP4.01
Rot. Bonds9

About (E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 53363805) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID53363805
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name(E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1[nH]c2ccccc2c1CCN(CCF)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C23H26FN3O2/c1-17-20(21-4-2-3-5-22(21)25-17)12-14-27(15-13-24)16-19-8-6-18(7-9-19)10-11-23(28)26-29/h2-11,25,29H,12-16H2,1H3,(H,26,28)/b11-10+
InChIKeyRYJKZDLYHRDHFV-ZHACJKMWSA-N
XLogP4.01
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 53363805) is (E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide is Cc1[nH]c2ccccc2c1CCN(CCF)Cc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is RYJKZDLYHRDHFV-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-17-20(21-4-2-3-5-22(21)25-17)12-14-27(15-13-24)16-19-8-6-18(7-9-19)10-11-23(28)26-29/h2-11,25,29H,12-16H2,1H3,(H,26,28)/b11-10+.
What are the key properties of (E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 395.48 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-fluoroethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 53363805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).