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

C17H13ClN2O3 — CID 10735086

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide
SMILESO=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)
InChIKeyZEEOGWVZWOURAE-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.03
Rot. Bonds4

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

2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide (PubChem CID 10735086) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide
PubChem CID10735086
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide
SMILESO=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)
InChIKeyZEEOGWVZWOURAE-UHFFFAOYSA-N
XLogP3.03
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Awd 12-281
CID 6918428
3-hydroxy-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135613205
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2226536
5-chloro-2-hydroxy-N'-[(1E)-1H-indol-3-ylmethylene]benzohydrazide
CID 135716872
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(1S)-2-carbamoyl-1-(3-chlorophenyl)prop-2-enyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 60170689
N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2987829
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 3936614
N-(4-chlorobenzyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304328
(3Z)-5-chloro-3-(3-oxoindolin-2-ylidene)indolin-2-one
CID 403164
N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 6484401
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide (CID 10735086) is 2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide is O=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is ZEEOGWVZWOURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide?
2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 328.76 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[(3-hydroxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 10735086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).