ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate

C19H17ClN2O3 — CID 110428322

IUPACethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O3/c1-2-25-19(24)14-5-3-4-6-17(14)22-18(23)9-12-11-21-16-8-7-13(20)10-15(12)16/h3-8,10-11,21H,2,9H2,1H3,(H,22,23)
InChIKeyGPYXSQQDFCFUAA-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.18
Rot. Bonds5

About ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate

ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate (PubChem CID 110428322) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
PubChem CID110428322
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Nameethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O3/c1-2-25-19(24)14-5-3-4-6-17(14)22-18(23)9-12-11-21-16-8-7-13(20)10-15(12)16/h3-8,10-11,21H,2,9H2,1H3,(H,22,23)
InChIKeyGPYXSQQDFCFUAA-UHFFFAOYSA-N
XLogP4.18
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-(2-ethoxyphenyl)acetamide
CID 110422156
ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
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methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
ethyl 2-[[3-[(4-chlorophenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946830
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
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ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
CID 110700282
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
CID 7662484
ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668
methyl 3-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110424175
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate (CID 110428322) is ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate?
The InChIKey is GPYXSQQDFCFUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-2-25-19(24)14-5-3-4-6-17(14)22-18(23)9-12-11-21-16-8-7-13(20)10-15(12)16/h3-8,10-11,21H,2,9H2,1H3,(H,22,23).
What are the key properties of ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate has a molecular weight of 356.81 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 110428322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).