ethyl 3-amino-2-benzoylindole-1-carboxylate

C18H16N2O3 — CID 10638516

IUPACethyl 3-amino-2-benzoylindole-1-carboxylate
SMILESCCOC(=O)n1c(C(=O)c2ccccc2)c(N)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-2-23-18(22)20-14-11-7-6-10-13(14)15(19)16(20)17(21)12-8-4-3-5-9-12/h3-11H,2,19H2,1H3
InChIKeyQFJDKERRKIQALQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.46
Rot. Bonds3

About ethyl 3-amino-2-benzoylindole-1-carboxylate

ethyl 3-amino-2-benzoylindole-1-carboxylate (PubChem CID 10638516) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 3-amino-2-benzoylindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-benzoylindole-1-carboxylate
PubChem CID10638516
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 3-amino-2-benzoylindole-1-carboxylate
SMILESCCOC(=O)n1c(C(=O)c2ccccc2)c(N)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-2-23-18(22)20-14-11-7-6-10-13(14)15(19)16(20)17(21)12-8-4-3-5-9-12/h3-11H,2,19H2,1H3
InChIKeyQFJDKERRKIQALQ-UHFFFAOYSA-N
XLogP3.46
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 3-acetamido-2-benzoyl-4,5-dimethoxyindole-1-carboxylate
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CID 133055982
(2-amino-1-benzoylindol-3-yl)-phenylmethanone
CID 51700673
ethyl 2-carbazol-9-ylprop-2-enoate
CID 23150324
ethyl 1-(2,2-diethylbutanoyl)-3-methylindole-2-carboxylate
CID 100973545
1-O-tert-butyl 2-O-ethyl 3-(2-ethoxy-2-oxoethyl)indole-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-benzoylindole-1-carboxylate?
The IUPAC name of ethyl 3-amino-2-benzoylindole-1-carboxylate (CID 10638516) is ethyl 3-amino-2-benzoylindole-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-benzoylindole-1-carboxylate?
The canonical SMILES for ethyl 3-amino-2-benzoylindole-1-carboxylate is CCOC(=O)n1c(C(=O)c2ccccc2)c(N)c2ccccc21.
What is the InChIKey of ethyl 3-amino-2-benzoylindole-1-carboxylate?
The InChIKey is QFJDKERRKIQALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-18(22)20-14-11-7-6-10-13(14)15(19)16(20)17(21)12-8-4-3-5-9-12/h3-11H,2,19H2,1H3.
What are the key properties of ethyl 3-amino-2-benzoylindole-1-carboxylate?
ethyl 3-amino-2-benzoylindole-1-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-benzoylindole-1-carboxylate is sourced from PubChem (CID 10638516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).