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

C21H18N2O3 — CID 3990187

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)COc4ccccc4)ccc1c23
InChIInChI=1S/C21H18N2O3/c1-2-23-18-12-11-17(15-9-6-10-16(20(15)18)21(23)25)22-19(24)13-26-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyIRKXEURQOJHQQM-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.84
Rot. Bonds5

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

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide (PubChem CID 3990187) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
PubChem CID3990187
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)COc4ccccc4)ccc1c23
InChIInChI=1S/C21H18N2O3/c1-2-23-18-12-11-17(15-9-6-10-16(20(15)18)21(23)25)22-19(24)13-26-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyIRKXEURQOJHQQM-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea
CID 1068830
N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide
CID 3289630
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
CID 681581
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 41151522
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 23911990
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 3290648
N-[(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-phenoxyacetamide
CID 53040326
6-(benzylamino)-2-ethylbenzo[de]isoquinoline-1,3-dione
CID 160954805
2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 121040722
4-[bis(2-methylpropyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4062998
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139612

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide (CID 3990187) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide is CCN1C(=O)c2cccc3c(NC(=O)COc4ccccc4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide?
The InChIKey is IRKXEURQOJHQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-2-23-18-12-11-17(15-9-6-10-16(20(15)18)21(23)25)22-19(24)13-26-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide has a molecular weight of 346.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide is sourced from PubChem (CID 3990187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).