ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate

C20H20FNO2 — CID 135056296

IUPACethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C
InChIInChI=1S/C20H20FNO2/c1-4-24-20(23)19-18(14-9-11-15(21)12-10-14)16-7-5-6-8-17(16)22(19)13(2)3/h5-13H,4H2,1-3H3
InChIKeyDNCPTKYYMSTESG-UHFFFAOYSA-N
MW325.38 g/mol
LogP5.20
Rot. Bonds4

About ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate

ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate (PubChem CID 135056296) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate
PubChem CID135056296
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Nameethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C
InChIInChI=1S/C20H20FNO2/c1-4-24-20(23)19-18(14-9-11-15(21)12-10-14)16-7-5-6-8-17(16)22(19)13(2)3/h5-13H,4H2,1-3H3
InChIKeyDNCPTKYYMSTESG-UHFFFAOYSA-N
XLogP5.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-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

1H-Indole-2-carboxylic acid, 1-methyl-
CID 27695
Ethyl indole-2-carboxylate
CID 73125
1-benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid
CID 563822
Indocate
CID 65776
1-Phenyl-1H-Indole-2-Carboxylic Acid
CID 646116
Amindocate
CID 178144
(3-Carbamimidoylphenyl)methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate
CID 446979
3-formyl-1-(4-vinylbenzyl)-1H-indole-2-carboxylic acid
CID 3544180
1-(2-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid
CID 3640365
5-Fluoro-1-methyl-1H-indole-2-carboxylic acid
CID 662546
3-formyl-1-methyl-1H-indole-2-carboxylic acid
CID 4777913
methyl 1-methyl-1H-indole-2-carboxylate
CID 258548

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate (CID 135056296) is ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate?
The InChIKey is DNCPTKYYMSTESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-4-24-20(23)19-18(14-9-11-15(21)12-10-14)16-7-5-6-8-17(16)22(19)13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate?
ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate has a molecular weight of 325.38 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxylate is sourced from PubChem (CID 135056296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).