(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate

C21H15NO3 — CID 27535021

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C21H15NO3/c23-20(16-10-9-14-5-1-2-6-15(14)11-16)13-25-21(24)18-12-22-19-8-4-3-7-17(18)19/h1-12,22H,13H2
InChIKeyHXZWWQUWSAHLGU-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.36
Rot. Bonds4

About (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate

(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate (PubChem CID 27535021) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate
PubChem CID27535021
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C21H15NO3/c23-20(16-10-9-14-5-1-2-6-15(14)11-16)13-25-21(24)18-12-22-19-8-4-3-7-17(18)19/h1-12,22H,13H2
InChIKeyHXZWWQUWSAHLGU-UHFFFAOYSA-N
XLogP4.36
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate
CID 7518736
[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 27535148
[2-(1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2122419
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-difluorobenzoate
CID 4030553
[2-(1H-indol-3-yl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 3255141
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate
CID 3384233
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2453233
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2689726
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492809
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate (CID 27535021) is (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate is O=C(COC(=O)c1c[nH]c2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate?
The InChIKey is HXZWWQUWSAHLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-20(16-10-9-14-5-1-2-6-15(14)11-16)13-25-21(24)18-12-22-19-8-4-3-7-17(18)19/h1-12,22H,13H2.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate?
(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate is sourced from PubChem (CID 27535021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).