ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate

C24H20FNO2 — CID 138982580

IUPACethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(Cc2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C24H20FNO2/c1-2-28-24(27)23-20-10-6-7-15-26(20)21(16-17-11-13-19(25)14-12-17)22(23)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3
InChIKeyBPDFTXBUBHJRAU-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.51
Rot. Bonds5

About ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate

ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate (PubChem CID 138982580) has the molecular formula C24H20FNO2 and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate
PubChem CID138982580
Molecular FormulaC24H20FNO2
Molecular Weight373.43 g/mol
Exact Mass373.15
IUPAC Nameethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(Cc2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C24H20FNO2/c1-2-28-24(27)23-20-10-6-7-15-26(20)21(16-17-11-13-19(25)14-12-17)22(23)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3
InChIKeyBPDFTXBUBHJRAU-UHFFFAOYSA-N
XLogP5.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate 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

Tropisetron
CID 656665
(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CID 119376
Tropisetron hydrochloride
CID 656664
Methyl indole-3-carboxylate
CID 589098
SB 203186
CID 3272300
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
1-Piperidinylethyl-1H-indole-3-carboxylate hydrochloride
CID 9926639
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
1-Methylindole-3-carboxylic acid
CID 854040
methyl 1-methoxy-1H-indole-3-carboxylate
CID 10465540

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate (CID 138982580) is ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(Cc2ccc(F)cc2)n2ccccc12.
What is the InChIKey of ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate?
The InChIKey is BPDFTXBUBHJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO2/c1-2-28-24(27)23-20-10-6-7-15-26(20)21(16-17-11-13-19(25)14-12-17)22(23)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate?
ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-fluorophenyl)methyl]-2-phenylindolizine-1-carboxylate is sourced from PubChem (CID 138982580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).