2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

C24H20N2O3 — CID 155797600

IUPAC2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H20N2O3/c1-29-19-13-11-18(12-14-19)25-24(28)23(27)21-16-26(15-17-7-3-2-4-8-17)22-10-6-5-9-20(21)22/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyHLRVSJXOFJEXKA-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.52
Rot. Bonds6

About 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 155797600) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID155797600
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H20N2O3/c1-29-19-13-11-18(12-14-19)25-24(28)23(27)21-16-26(15-17-7-3-2-4-8-17)22-10-6-5-9-20(21)22/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyHLRVSJXOFJEXKA-UHFFFAOYSA-N
XLogP4.52
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.52
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

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 46227998
methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate
CID 46786349
4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
CID 55564494
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 46786091
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
CID 46418266
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (CID 155797600) is 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is HLRVSJXOFJEXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-19-13-11-18(12-14-19)25-24(28)23(27)21-16-26(15-17-7-3-2-4-8-17)22-10-6-5-9-20(21)22/h2-14,16H,15H2,1H3,(H,25,28).
What are the key properties of 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 384.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 155797600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).