propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate

C21H19F2NO4 — CID 91308619

IUPACpropyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
SMILESCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(F)cc2)c2cc(F)c(O)cc12
InChIInChI=1S/C21H19F2NO4/c1-3-8-28-20(26)10-15-12(2)24(18-11-17(23)19(25)9-16(15)18)21(27)13-4-6-14(22)7-5-13/h4-7,9,11,25H,3,8,10H2,1-2H3
InChIKeyCECCEMHHYNIXAZ-UHFFFAOYSA-N
MW387.38 g/mol
LogP4.12
Rot. Bonds5

About propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate

propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate (PubChem CID 91308619) has the molecular formula C21H19F2NO4 and a molecular weight of 387.38 g/mol. Its IUPAC name is propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
PubChem CID91308619
Molecular FormulaC21H19F2NO4
Molecular Weight387.38 g/mol
Exact Mass387.13
IUPAC Namepropyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
SMILESCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(F)cc2)c2cc(F)c(O)cc12
InChIInChI=1S/C21H19F2NO4/c1-3-8-28-20(26)10-15-12(2)24(18-11-17(23)19(25)9-16(15)18)21(27)13-4-6-14(22)7-5-13/h4-7,9,11,25H,3,8,10H2,1-2H3
InChIKeyCECCEMHHYNIXAZ-UHFFFAOYSA-N
XLogP4.12
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 90753955
propyl 2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]acetate
CID 91062954
ethyl 2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91410763
cyclobutyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 91054954
tert-butyl 2-[1-(4-chlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 91458818
2-[1-(4-ethoxybenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 18453602
tert-butyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetate
CID 91005179
3-[[2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 69487257
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
2-[6-chloro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetamide
CID 69487727
cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate
CID 90982854

Frequently Asked Questions

What is the IUPAC name of propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate?
The IUPAC name of propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate (CID 91308619) is propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate.
What is the SMILES notation for propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate?
The canonical SMILES for propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate is CCCOC(=O)Cc1c(C)n(C(=O)c2ccc(F)cc2)c2cc(F)c(O)cc12.
What is the InChIKey of propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate?
The InChIKey is CECCEMHHYNIXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO4/c1-3-8-28-20(26)10-15-12(2)24(18-11-17(23)19(25)9-16(15)18)21(27)13-4-6-14(22)7-5-13/h4-7,9,11,25H,3,8,10H2,1-2H3.
What are the key properties of propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate?
propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate has a molecular weight of 387.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 91308619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).