[2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C20H17F2NO5 — CID 8895035

IUPAC[2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCOc1cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)ccc1OC(F)F
InChIInChI=1S/C20H17F2NO5/c1-26-18-8-12(6-7-17(18)28-20(21)22)16(24)11-27-19(25)9-13-10-23-15-5-3-2-4-14(13)15/h2-8,10,20,23H,9,11H2,1H3
InChIKeyCFRUBQLCOLGUDB-UHFFFAOYSA-N
MW389.35 g/mol
LogP3.75
Rot. Bonds8

About [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 8895035) has the molecular formula C20H17F2NO5 and a molecular weight of 389.35 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID8895035
Molecular FormulaC20H17F2NO5
Molecular Weight389.35 g/mol
Exact Mass389.11
IUPAC Name[2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCOc1cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)ccc1OC(F)F
InChIInChI=1S/C20H17F2NO5/c1-26-18-8-12(6-7-17(18)28-20(21)22)16(24)11-27-19(25)9-13-10-23-15-5-3-2-4-14(13)15/h2-8,10,20,23H,9,11H2,1H3
InChIKeyCFRUBQLCOLGUDB-UHFFFAOYSA-N
XLogP3.75
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-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

methyl (2R)-2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 7613365
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017608
N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 110733002
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 9113975
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7629003
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone
CID 2452418
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219
[2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 9467947
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612428
2-(1H-indol-3-yl)-N-[2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoethyl]acetamide
CID 110669146
[2-(3-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 8675713

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 8895035) is [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is COc1cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)ccc1OC(F)F.
What is the InChIKey of [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is CFRUBQLCOLGUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO5/c1-26-18-8-12(6-7-17(18)28-20(21)22)16(24)11-27-19(25)9-13-10-23-15-5-3-2-4-14(13)15/h2-8,10,20,23H,9,11H2,1H3.
What are the key properties of [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 389.35 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 8895035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).