2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide

C22H14Cl3N3O3 — CID 110167947

IUPAC2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide
SMILESO=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H14Cl3N3O3/c23-13-3-1-12(2-4-13)10-28-11-16(15-7-14(29)5-6-19(15)28)21(30)22(31)27-20-17(24)8-26-9-18(20)25/h1-9,11,29H,10H2,(H,26,27,31)
InChIKeyHOZUBIAYEQHVTG-UHFFFAOYSA-N
MW474.73 g/mol
LogP5.57
Rot. Bonds5

About 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide

2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide (PubChem CID 110167947) has the molecular formula C22H14Cl3N3O3 and a molecular weight of 474.73 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide
PubChem CID110167947
Molecular FormulaC22H14Cl3N3O3
Molecular Weight474.73 g/mol
Exact Mass473.01
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide
SMILESO=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H14Cl3N3O3/c23-13-3-1-12(2-4-13)10-28-11-16(15-7-14(29)5-6-19(15)28)21(30)22(31)27-20-17(24)8-26-9-18(20)25/h1-9,11,29H,10H2,(H,26,27,31)
InChIKeyHOZUBIAYEQHVTG-UHFFFAOYSA-N
XLogP5.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 58806260
N-(3,5-dichloro-4-pyridinyl)-2-[(3,5-dichloro-4-pyridinyl)imino]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]acetamide
CID 110169286
N-(3,5-dichloro-4-pyridinyl)-5-hydroxy-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide
CID 22660391
N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
CID 91341102
[3-[2-[(3,5-dichloro-4-pyridinyl)amino]-2-oxoacetyl]-1-[(4-fluorophenyl)methyl]indol-5-yl] acetate
CID 15429129
dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate
CID 157152632
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659
N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
CID 110167918
N-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide
CID 110167937
N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide
CID 16739239
N-(3,5-dichloro-4-pyridinyl)-2-oxo-2-[1-[(2,3,5,6-tetradeuterio-4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 110170775

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide (CID 110167947) is 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide is O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccc(O)cc12.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide?
The InChIKey is HOZUBIAYEQHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3N3O3/c23-13-3-1-12(2-4-13)10-28-11-16(15-7-14(29)5-6-19(15)28)21(30)22(31)27-20-17(24)8-26-9-18(20)25/h1-9,11,29H,10H2,(H,26,27,31).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide?
2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide has a molecular weight of 474.73 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 110167947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).