N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide

C26H23N3O2 — CID 26783316

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3cn(Cc4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C26H23N3O2/c1-18(30)29-14-13-20-15-21(11-12-24(20)29)27-26(31)23-17-28(16-19-7-3-2-4-8-19)25-10-6-5-9-22(23)25/h2-12,15,17H,13-14,16H2,1H3,(H,27,31)
InChIKeyNIMKVMWVHCLSEJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.85
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide (PubChem CID 26783316) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide
PubChem CID26783316
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3cn(Cc4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C26H23N3O2/c1-18(30)29-14-13-20-15-21(11-12-24(20)29)27-26(31)23-17-28(16-19-7-3-2-4-8-19)25-10-6-5-9-22(23)25/h2-12,15,17H,13-14,16H2,1H3,(H,27,31)
InChIKeyNIMKVMWVHCLSEJ-UHFFFAOYSA-N
XLogP4.85
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide
CID 39333465
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 30494390
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
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1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-hydroxy-4-methylbenzamide
CID 35805071
N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide
CID 17453567
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-3-nitrobenzamide
CID 42423999
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 39964656
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
1-benzyl-N-propylindole-3-carboxamide
CID 24654500

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide (CID 26783316) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide is CC(=O)N1CCc2cc(NC(=O)c3cn(Cc4ccccc4)c4ccccc34)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide?
The InChIKey is NIMKVMWVHCLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-18(30)29-14-13-20-15-21(11-12-24(20)29)27-26(31)23-17-28(16-19-7-3-2-4-8-19)25-10-6-5-9-22(23)25/h2-12,15,17H,13-14,16H2,1H3,(H,27,31).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide is sourced from PubChem (CID 26783316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).