2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide

C17H13ClN2O4 — CID 10783684

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide
SMILESO=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)
InChIKeyUYJGDEQPQQGIHI-UHFFFAOYSA-N
MW344.75 g/mol
LogP2.73
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide

2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide (PubChem CID 10783684) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide
PubChem CID10783684
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide
SMILESO=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)
InChIKeyUYJGDEQPQQGIHI-UHFFFAOYSA-N
XLogP2.73
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide (CID 10783684) is 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide is O=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is UYJGDEQPQQGIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide?
2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 344.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[(3,4-dihydroxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 10783684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).