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

C22H14Cl2FN3O3 — CID 91341102

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1ncc(Cl)cc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H14Cl2FN3O3/c23-13-7-18(24)21(26-9-13)27-22(31)20(30)17-11-28(10-12-1-3-14(25)4-2-12)19-6-5-15(29)8-16(17)19/h1-9,11,29H,10H2,(H,26,27,31)
InChIKeyJSSXYCLWPBPACM-UHFFFAOYSA-N
MW458.28 g/mol
LogP5.06
Rot. Bonds5

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

N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide (PubChem CID 91341102) has the molecular formula C22H14Cl2FN3O3 and a molecular weight of 458.28 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
PubChem CID91341102
Molecular FormulaC22H14Cl2FN3O3
Molecular Weight458.28 g/mol
Exact Mass457.04
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1ncc(Cl)cc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H14Cl2FN3O3/c23-13-7-18(24)21(26-9-13)27-22(31)20(30)17-11-28(10-12-1-3-14(25)4-2-12)19-6-5-15(29)8-16(17)19/h1-9,11,29H,10H2,(H,26,27,31)
InChIKeyJSSXYCLWPBPACM-UHFFFAOYSA-N
XLogP5.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.28
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide
CID 110167947
N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
CID 110167918
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-chloro-4-pyridinyl)-2-[5-hydroxy-1-[(4-methylphenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 58806260
[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
N-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide
CID 110167937
2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide
CID 22256817
ethyl N-[[1-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(pyridin-4-ylamino)acetyl]indol-5-yl]methyl]carbamate
CID 11540127
1-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]ethane-1,2-dione
CID 110169325
N-(3,5-dichloro-4-pyridinyl)-5-hydroxy-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide
CID 22660391
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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide (CID 91341102) is N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide is O=C(Nc1ncc(Cl)cc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
The InChIKey is JSSXYCLWPBPACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN3O3/c23-13-7-18(24)21(26-9-13)27-22(31)20(30)17-11-28(10-12-1-3-14(25)4-2-12)19-6-5-15(29)8-16(17)19/h1-9,11,29H,10H2,(H,26,27,31).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide has a molecular weight of 458.28 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 91341102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).