acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate

C19H15F2NO4 — CID 177107817

IUPACacetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate
SMILESCC(=O)OCOC(=O)Cc1c[nH]c2ccc(-c3cc(F)cc(F)c3)cc12
InChIInChI=1S/C19H15F2NO4/c1-11(23)25-10-26-19(24)7-14-9-22-18-3-2-12(6-17(14)18)13-4-15(20)8-16(21)5-13/h2-6,8-9,22H,7,10H2,1H3
InChIKeyVNBFVZKQFZJLLV-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.72
Rot. Bonds5

About acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate

acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate (PubChem CID 177107817) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Nameacetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate
PubChem CID177107817
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Nameacetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate
SMILESCC(=O)OCOC(=O)Cc1c[nH]c2ccc(-c3cc(F)cc(F)c3)cc12
InChIInChI=1S/C19H15F2NO4/c1-11(23)25-10-26-19(24)7-14-9-22-18-3-2-12(6-17(14)18)13-4-15(20)8-16(21)5-13/h2-6,8-9,22H,7,10H2,1H3
InChIKeyVNBFVZKQFZJLLV-UHFFFAOYSA-N
XLogP3.72
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate
CID 166042268
2-[5-(4-bromophenyl)-1H-indol-3-yl]acetic acid;ethanol;ethyl 2-[5-(4-bromophenyl)-1H-indol-3-yl]acetate
CID 167604339
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817
[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluorophenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 150924931
acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate
CID 58883436
2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 142424412
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate?
The IUPAC name of acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate (CID 177107817) is acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate.
What is the SMILES notation for acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate?
The canonical SMILES for acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate is CC(=O)OCOC(=O)Cc1c[nH]c2ccc(-c3cc(F)cc(F)c3)cc12.
What is the InChIKey of acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate?
The InChIKey is VNBFVZKQFZJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-11(23)25-10-26-19(24)7-14-9-22-18-3-2-12(6-17(14)18)13-4-15(20)8-16(21)5-13/h2-6,8-9,22H,7,10H2,1H3.
What are the key properties of acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate?
acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate has a molecular weight of 359.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 177107817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).