[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate

C23H24FNO4 — CID 69485708

IUPAC[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate
SMILESCCCc1c(OC)c(F)cc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H24FNO4/c1-6-7-17-20-19(12-18(24)22(17)28-5)25(14(3)21(20)29-15(4)26)23(27)16-10-8-13(2)9-11-16/h8-12H,6-7H2,1-5H3
InChIKeyRCUUQLJHOVNCGB-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.97
Rot. Bonds5

About [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate

[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate (PubChem CID 69485708) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate.

Molecular Properties

Compound Name[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate
PubChem CID69485708
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Name[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate
SMILESCCCc1c(OC)c(F)cc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H24FNO4/c1-6-7-17-20-19(12-18(24)22(17)28-5)25(14(3)21(20)29-15(4)26)23(27)16-10-8-13(2)9-11-16/h8-12H,6-7H2,1-5H3
InChIKeyRCUUQLJHOVNCGB-UHFFFAOYSA-N
XLogP4.97
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate?
The IUPAC name of [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate (CID 69485708) is [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate.
What is the SMILES notation for [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate?
The canonical SMILES for [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate is CCCc1c(OC)c(F)cc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(C)cc1.
What is the InChIKey of [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate?
The InChIKey is RCUUQLJHOVNCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-6-7-17-20-19(12-18(24)22(17)28-5)25(14(3)21(20)29-15(4)26)23(27)16-10-8-13(2)9-11-16/h8-12H,6-7H2,1-5H3.
What are the key properties of [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate?
[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate has a molecular weight of 397.45 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)-4-propylindol-3-yl] acetate is sourced from PubChem (CID 69485708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).