(2-acetyl-1-methylindol-3-yl) benzoate

C18H15NO3 — CID 947463

IUPAC(2-acetyl-1-methylindol-3-yl) benzoate
SMILESCC(=O)c1c(OC(=O)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C18H15NO3/c1-12(20)16-17(14-10-6-7-11-15(14)19(16)2)22-18(21)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeyHUBDNFYBFGRRNU-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.60
Rot. Bonds3

About (2-acetyl-1-methylindol-3-yl) benzoate

(2-acetyl-1-methylindol-3-yl) benzoate (PubChem CID 947463) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2-acetyl-1-methylindol-3-yl) benzoate.

Molecular Properties

Compound Name(2-acetyl-1-methylindol-3-yl) benzoate
PubChem CID947463
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(2-acetyl-1-methylindol-3-yl) benzoate
SMILESCC(=O)c1c(OC(=O)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C18H15NO3/c1-12(20)16-17(14-10-6-7-11-15(14)19(16)2)22-18(21)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeyHUBDNFYBFGRRNU-UHFFFAOYSA-N
XLogP3.60
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-acetyl-1-methylindol-3-yl) benzoate?
The IUPAC name of (2-acetyl-1-methylindol-3-yl) benzoate (CID 947463) is (2-acetyl-1-methylindol-3-yl) benzoate.
What is the SMILES notation for (2-acetyl-1-methylindol-3-yl) benzoate?
The canonical SMILES for (2-acetyl-1-methylindol-3-yl) benzoate is CC(=O)c1c(OC(=O)c2ccccc2)c2ccccc2n1C.
What is the InChIKey of (2-acetyl-1-methylindol-3-yl) benzoate?
The InChIKey is HUBDNFYBFGRRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(20)16-17(14-10-6-7-11-15(14)19(16)2)22-18(21)13-8-4-3-5-9-13/h3-11H,1-2H3.
What are the key properties of (2-acetyl-1-methylindol-3-yl) benzoate?
(2-acetyl-1-methylindol-3-yl) benzoate has a molecular weight of 293.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-1-methylindol-3-yl) benzoate is sourced from PubChem (CID 947463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).