ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate

C21H20FNO2 — CID 11393567

IUPACethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(F)cc1)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C21H20FNO2/c1-3-25-21(24)16(12-15-8-10-17(22)11-9-15)13-19-14(2)23-20-7-5-4-6-18(19)20/h4-12,23H,3,13H2,1-2H3/b16-12+
InChIKeyMNSZUNAFIJMCPE-FOWTUZBSSA-N
MW337.39 g/mol
LogP4.80
Rot. Bonds5

About ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate

ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate (PubChem CID 11393567) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
PubChem CID11393567
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Nameethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(F)cc1)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C21H20FNO2/c1-3-25-21(24)16(12-15-8-10-17(22)11-9-15)13-19-14(2)23-20-7-5-4-6-18(19)20/h4-12,23H,3,13H2,1-2H3/b16-12+
InChIKeyMNSZUNAFIJMCPE-FOWTUZBSSA-N
XLogP4.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
ethyl (E)-2-benzyl-3-(4-methylphenyl)prop-2-enoate
CID 15851794
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262
ethyl 2-bromo-3-(4-fluorophenyl)prop-2-enoate
CID 73413130
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 134405482
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 61022230
N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 60742837

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate (CID 11393567) is ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate is CCOC(=O)/C(=C/c1ccc(F)cc1)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate?
The InChIKey is MNSZUNAFIJMCPE-FOWTUZBSSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-3-25-21(24)16(12-15-8-10-17(22)11-9-15)13-19-14(2)23-20-7-5-4-6-18(19)20/h4-12,23H,3,13H2,1-2H3/b16-12+.
What are the key properties of ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate?
ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate has a molecular weight of 337.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate is sourced from PubChem (CID 11393567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).