ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate

C19H15ClN2O4 — CID 113208895

IUPACethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H15ClN2O4/c1-2-26-19(25)13-5-3-4-6-15(13)22-18(24)17(23)14-10-21-16-9-11(20)7-8-12(14)16/h3-10,21H,2H2,1H3,(H,22,24)
InChIKeyULQOGJYHRLOVMR-UHFFFAOYSA-N
MW370.79 g/mol
LogP3.82
Rot. Bonds5

About ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate

ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate (PubChem CID 113208895) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
PubChem CID113208895
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Nameethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H15ClN2O4/c1-2-26-19(25)13-5-3-4-6-15(13)22-18(24)17(23)14-10-21-16-9-11(20)7-8-12(14)16/h3-10,21H,2H2,1H3,(H,22,24)
InChIKeyULQOGJYHRLOVMR-UHFFFAOYSA-N
XLogP3.82
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110428322
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
CID 113208820
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208892
ethyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 113208788
2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208859
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
N-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2986288
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492820

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate (CID 113208895) is ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate?
The InChIKey is ULQOGJYHRLOVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-2-26-19(25)13-5-3-4-6-15(13)22-18(24)17(23)14-10-21-16-9-11(20)7-8-12(14)16/h3-10,21H,2H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate?
ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate has a molecular weight of 370.79 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 113208895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).