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

C21H18N2O2 — CID 3998958

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccc(C)cc4)ccc1c23
InChIInChI=1S/C21H18N2O2/c1-3-23-18-12-11-17(15-5-4-6-16(19(15)18)21(23)25)22-20(24)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyKGRRICPLDGATOM-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.38
Rot. Bonds3

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

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide (PubChem CID 3998958) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
PubChem CID3998958
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccc(C)cc4)ccc1c23
InChIInChI=1S/C21H18N2O2/c1-3-23-18-12-11-17(15-5-4-6-16(19(15)18)21(23)25)22-20(24)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyKGRRICPLDGATOM-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4208820
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
CID 4155639
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)-3-(4-methylphenyl)sulfonylpropanamide
CID 41151522
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea
CID 23996835
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
CID 7565002
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)pentanamide
CID 3238683
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 N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide (CID 3998958) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide is CCN1C(=O)c2cccc3c(NC(=O)c4ccc(C)cc4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide?
The InChIKey is KGRRICPLDGATOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-3-23-18-12-11-17(15-5-4-6-16(19(15)18)21(23)25)22-20(24)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide has a molecular weight of 330.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide is sourced from PubChem (CID 3998958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).