4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide

C27H22N2O2 — CID 4208820

IUPAC4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccc(Cc5ccccc5)cc4)ccc1c23
InChIInChI=1S/C27H22N2O2/c1-2-29-24-16-15-23(21-9-6-10-22(25(21)24)27(29)31)28-26(30)20-13-11-19(12-14-20)17-18-7-4-3-5-8-18/h3-16H,2,17H2,1H3,(H,28,30)
InChIKeyPQILLCNEJXGPEU-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.66
Rot. Bonds5

About 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide

4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (PubChem CID 4208820) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.

Molecular Properties

Compound Name4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
PubChem CID4208820
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccc(Cc5ccccc5)cc4)ccc1c23
InChIInChI=1S/C27H22N2O2/c1-2-29-24-16-15-23(21-9-6-10-22(25(21)24)27(29)31)28-26(30)20-13-11-19(12-14-20)17-18-7-4-3-5-8-18/h3-16H,2,17H2,1H3,(H,28,30)
InChIKeyPQILLCNEJXGPEU-UHFFFAOYSA-N
XLogP5.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 3290648
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
CID 681581
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
CID 4155639
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
CID 7565002
4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 41363936
4-[bis(2-methylpropyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4062998
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide
CID 41149488
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
CID 3990187
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-oxochromene-3-carboxamide
CID 23794306
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 42427896

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The IUPAC name of 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (CID 4208820) is 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.
What is the SMILES notation for 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The canonical SMILES for 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide is CCN1C(=O)c2cccc3c(NC(=O)c4ccc(Cc5ccccc5)cc4)ccc1c23.
What is the InChIKey of 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The InChIKey is PQILLCNEJXGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-2-29-24-16-15-23(21-9-6-10-22(25(21)24)27(29)31)28-26(30)20-13-11-19(12-14-20)17-18-7-4-3-5-8-18/h3-16H,2,17H2,1H3,(H,28,30).
What are the key properties of 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide has a molecular weight of 406.49 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide is sourced from PubChem (CID 4208820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).