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

C20H16N2O2 — CID 830293

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C20H16N2O2/c1-2-22-17-12-11-16(21-19(23)13-7-4-3-5-8-13)14-9-6-10-15(18(14)17)20(22)24/h3-12H,2H2,1H3,(H,21,23)
InChIKeyWMFSFQHOPQOZTF-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.07
Rot. Bonds3

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

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (PubChem CID 830293) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
PubChem CID830293
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C20H16N2O2/c1-2-22-17-12-11-16(21-19(23)13-7-4-3-5-8-13)14-9-6-10-15(18(14)17)20(22)24/h3-12H,2H2,1H3,(H,21,23)
InChIKeyWMFSFQHOPQOZTF-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide (CID 830293) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide is CCN1C(=O)c2cccc3c(NC(=O)c4ccccc4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The InChIKey is WMFSFQHOPQOZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-2-22-17-12-11-16(21-19(23)13-7-4-3-5-8-13)14-9-6-10-15(18(14)17)20(22)24/h3-12H,2H2,1H3,(H,21,23).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 4.07, 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)benzamide is sourced from PubChem (CID 830293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).