methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate

C19H15F2NO4 — CID 91513909

IUPACmethyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)cc12
InChIInChI=1S/C19H15F2NO4/c1-10-13(9-18(24)26-2)14-8-12(23)4-6-17(14)22(10)19(25)11-3-5-15(20)16(21)7-11/h3-8,23H,9H2,1-2H3
InChIKeyFLFXXFIMKPKZPE-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.34
Rot. Bonds3

About methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate

methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate (PubChem CID 91513909) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
PubChem CID91513909
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Namemethyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)cc12
InChIInChI=1S/C19H15F2NO4/c1-10-13(9-18(24)26-2)14-8-12(23)4-6-17(14)22(10)19(25)11-3-5-15(20)16(21)7-11/h3-8,23H,9H2,1-2H3
InChIKeyFLFXXFIMKPKZPE-UHFFFAOYSA-N
XLogP3.34
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91410763
methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate
CID 587439
cyclopentyl 2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 90925820
butan-2-yl 2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91396140
ethyl 2-[1-(3,4-difluorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91390826
3-[[(2S)-2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoyl]amino]propanoic acid
CID 69487453
2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide
CID 91536323
2-[1-(2,6-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 71419570
2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69485337
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetaldehyde
CID 87855003
N-butan-2-yl-2-[1-[4-(difluoromethoxy)benzoyl]-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69487943

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate (CID 91513909) is methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate is COC(=O)Cc1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)cc12.
What is the InChIKey of methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate?
The InChIKey is FLFXXFIMKPKZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-10-13(9-18(24)26-2)14-8-12(23)4-6-17(14)22(10)19(25)11-3-5-15(20)16(21)7-11/h3-8,23H,9H2,1-2H3.
What are the key properties of methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate?
methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate has a molecular weight of 359.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 91513909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).