2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide

C48H38Cl4N6O6 — CID 158518060

IUPAC2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccccc1)c(C)n2Cc1ccc(Cl)cc1Cl.COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncn1)c(C)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H20Cl2N2O3.C23H18Cl2N4O3/c1-15-23(24(30)25(31)28-18-6-4-3-5-7-18)20-13-19(32-2)10-11-22(20)29(15)14-16-8-9-17(26)12-21(16)27;1-13-21(22(30)23(31)28-20-7-8-26-12-27-20)17-10-16(32-2)5-6-19(17)29(13)11-14-3-4-15(24)9-18(14)25/h3-13H,14H2,1-2H3,(H,28,31);3-10,12H,11H2,1-2H3,(H,26,27,28,31)
InChIKeyHLWINJNKUODTLN-UHFFFAOYSA-N
MW936.68 g/mol
LogP11.06
Rot. Bonds12

About 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide

2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide (PubChem CID 158518060) has the molecular formula C48H38Cl4N6O6 and a molecular weight of 936.68 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide
PubChem CID158518060
Molecular FormulaC48H38Cl4N6O6
Molecular Weight936.68 g/mol
Exact Mass934.16
IUPAC Name2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccccc1)c(C)n2Cc1ccc(Cl)cc1Cl.COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncn1)c(C)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H20Cl2N2O3.C23H18Cl2N4O3/c1-15-23(24(30)25(31)28-18-6-4-3-5-7-18)20-13-19(32-2)10-11-22(20)29(15)14-16-8-9-17(26)12-21(16)27;1-13-21(22(30)23(31)28-20-7-8-26-12-27-20)17-10-16(32-2)5-6-19(17)29(13)11-14-3-4-15(24)9-18(14)25/h3-13H,14H2,1-2H3,(H,28,31);3-10,12H,11H2,1-2H3,(H,26,27,28,31)
InChIKeyHLWINJNKUODTLN-UHFFFAOYSA-N
XLogP11.06
TPSA146.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.68
LogP ≤ 511.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide with MolForge

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Related Compounds

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide
CID 161243659
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 53482570
2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68908072
2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 87660617
2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68907507
2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 25145835
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 53482691
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53308195
2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide
CID 87619544
2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide
CID 53307127
1-[(4-chlorophenyl)methyl]-3-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2-methylindole-5-carboxylic acid
CID 57386189

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide?
The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide (CID 158518060) is 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide?
The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccccc1)c(C)n2Cc1ccc(Cl)cc1Cl.COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncn1)c(C)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide?
The InChIKey is HLWINJNKUODTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O3.C23H18Cl2N4O3/c1-15-23(24(30)25(31)28-18-6-4-3-5-7-18)20-13-19(32-2)10-11-22(20)29(15)14-16-8-9-17(26)12-21(16)27;1-13-21(22(30)23(31)28-20-7-8-26-12-27-20)17-10-16(32-2)5-6-19(17)29(13)11-14-3-4-15(24)9-18(14)25/h3-13H,14H2,1-2H3,(H,28,31);3-10,12H,11H2,1-2H3,(H,26,27,28,31).
What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide?
2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide has a molecular weight of 936.68 g/mol, XLogP of 11.06, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide is sourced from PubChem (CID 158518060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).