N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide

C24H17Cl2FN2O3 — CID 110167918

IUPACN-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1c(Cl)cccc1Cl)cn2Cc1ccc(F)cc1
InChIInChI=1S/C24H17Cl2FN2O3/c1-32-16-9-10-21-17(11-16)18(13-29(21)12-14-5-7-15(27)8-6-14)23(30)24(31)28-22-19(25)3-2-4-20(22)26/h2-11,13H,12H2,1H3,(H,28,31)
InChIKeyNDWBFZGGWFEIDF-UHFFFAOYSA-N
MW471.32 g/mol
LogP5.97
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide

N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide (PubChem CID 110167918) has the molecular formula C24H17Cl2FN2O3 and a molecular weight of 471.32 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
PubChem CID110167918
Molecular FormulaC24H17Cl2FN2O3
Molecular Weight471.32 g/mol
Exact Mass470.06
IUPAC NameN-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1c(Cl)cccc1Cl)cn2Cc1ccc(F)cc1
InChIInChI=1S/C24H17Cl2FN2O3/c1-32-16-9-10-21-17(11-16)18(13-29(21)12-14-5-7-15(27)8-6-14)23(30)24(31)28-22-19(25)3-2-4-20(22)26/h2-11,13H,12H2,1H3,(H,28,31)
InChIKeyNDWBFZGGWFEIDF-UHFFFAOYSA-N
XLogP5.97
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.32
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[(3,5-dichloro-4-pyridinyl)amino]-2-oxoacetyl]-1-[(4-fluorophenyl)methyl]indol-5-yl] acetate
CID 15429129
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate
CID 157152632
[1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate
CID 70200804
N-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide
CID 110167937
N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
CID 91341102
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide
CID 145438430
(4Z)-4-[[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-hydroxymethylidene]oxolane-2,3-dione
CID 16741548
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide
CID 110167947

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide (CID 110167918) is N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1c(Cl)cccc1Cl)cn2Cc1ccc(F)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide?
The InChIKey is NDWBFZGGWFEIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O3/c1-32-16-9-10-21-17(11-16)18(13-29(21)12-14-5-7-15(27)8-6-14)23(30)24(31)28-22-19(25)3-2-4-20(22)26/h2-11,13H,12H2,1H3,(H,28,31).
What are the key properties of N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide?
N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide has a molecular weight of 471.32 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 110167918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).