2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide

C23H21N3O3 — CID 1085704

IUPAC2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C23H21N3O3/c1-14(2)24-22(28)16-9-3-4-11-18(16)25-20(27)13-26-19-12-6-8-15-7-5-10-17(21(15)19)23(26)29/h3-12,14H,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyMSNSYJPXALMOPZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.58
Rot. Bonds5

About 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 1085704) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID1085704
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C23H21N3O3/c1-14(2)24-22(28)16-9-3-4-11-18(16)25-20(27)13-26-19-12-6-8-15-7-5-10-17(21(15)19)23(26)29/h3-12,14H,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyMSNSYJPXALMOPZ-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide with MolForge

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Related Compounds

methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1084274
N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide
CID 1091802
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347
2-(2-oxobenzo[cd]indol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 989246
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 42883537
ethyl 4-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1083001
2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid
CID 4737279
N-(2,3-dimethylphenyl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 113202033
2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 34563069

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide (CID 1085704) is 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is MSNSYJPXALMOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14(2)24-22(28)16-9-3-4-11-18(16)25-20(27)13-26-19-12-6-8-15-7-5-10-17(21(15)19)23(26)29/h3-12,14H,13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 387.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1085704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).