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

C18H15ClN2O4 — CID 14132269

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H15ClN2O4/c19-11-2-3-14-12(8-11)13(9-21-14)17(24)18(25)20-6-5-10-1-4-15(22)16(23)7-10/h1-4,7-9,21-23H,5-6H2,(H,20,25)
InChIKeyFNSXQHXZLYVEQX-UHFFFAOYSA-N
MW358.78 g/mol
LogP2.77
Rot. Bonds5

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

2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide (PubChem CID 14132269) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide
PubChem CID14132269
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H15ClN2O4/c19-11-2-3-14-12(8-11)13(9-21-14)17(24)18(25)20-6-5-10-1-4-15(22)16(23)7-10/h1-4,7-9,21-23H,5-6H2,(H,20,25)
InChIKeyFNSXQHXZLYVEQX-UHFFFAOYSA-N
XLogP2.77
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.77
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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Related Compounds

2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic Acid
CID 10428959
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 342168
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 10664084
N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 10802681
N-(3-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 44596784
Caffeoyltryptophan
CID 15228042
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 10592051
N-[(3,4-dihydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 10641902
N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 10733730
2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide
CID 10735086
2-(5-chloro-1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide
CID 10759764
N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 10780119

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide (CID 14132269) is 2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide is O=C(NCCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide?
The InChIKey is FNSXQHXZLYVEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-11-2-3-14-12(8-11)13(9-21-14)17(24)18(25)20-6-5-10-1-4-15(22)16(23)7-10/h1-4,7-9,21-23H,5-6H2,(H,20,25).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide?
2-(5-chloro-1H-indol-3-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide has a molecular weight of 358.78 g/mol, XLogP of 2.77, 5 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-[2-(3,4-dihydroxyphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 14132269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).