ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate

C20H20FNO3 — CID 10831090

IUPACethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate
SMILESCCOC(=O)Cc1cn(Cc2ccc(F)cc2)c2cc(OC)ccc12
InChIInChI=1S/C20H20FNO3/c1-3-25-20(23)10-15-13-22(12-14-4-6-16(21)7-5-14)19-11-17(24-2)8-9-18(15)19/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyZDZJUAFJBIENBN-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.94
Rot. Bonds6

About ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate

ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate (PubChem CID 10831090) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate
PubChem CID10831090
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Nameethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate
SMILESCCOC(=O)Cc1cn(Cc2ccc(F)cc2)c2cc(OC)ccc12
InChIInChI=1S/C20H20FNO3/c1-3-25-20(23)10-15-13-22(12-14-4-6-16(21)7-5-14)19-11-17(24-2)8-9-18(15)19/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyZDZJUAFJBIENBN-UHFFFAOYSA-N
XLogP3.94
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate 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

1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
ethyl 2-[1-[(4-butoxyphenyl)methyl]-6-(3-hydroxyphenyl)indol-3-yl]acetate
CID 70294420
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
CID 141464853
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 2-[6-butoxy-1-[(5-chloro-1-benzothiophen-3-yl)methyl]indol-3-yl]acetate
CID 70295309
1-[(4-methoxyphenyl)methyl]-3-methylindole-6-carbaldehyde
CID 91174729
4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate?
The IUPAC name of ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate (CID 10831090) is ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate is CCOC(=O)Cc1cn(Cc2ccc(F)cc2)c2cc(OC)ccc12.
What is the InChIKey of ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate?
The InChIKey is ZDZJUAFJBIENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-3-25-20(23)10-15-13-22(12-14-4-6-16(21)7-5-14)19-11-17(24-2)8-9-18(15)19/h4-9,11,13H,3,10,12H2,1-2H3.
What are the key properties of ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate?
ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate has a molecular weight of 341.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate is sourced from PubChem (CID 10831090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).