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

C20H15FN2O2 — CID 711306

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccc(F)cc4)ccc1c23
InChIInChI=1S/C20H15FN2O2/c1-2-23-17-11-10-16(14-4-3-5-15(18(14)17)20(23)25)22-19(24)12-6-8-13(21)9-7-12/h3-11H,2H2,1H3,(H,22,24)
InChIKeyBNROFBTVOJRNKR-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.21
Rot. Bonds3

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

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide (PubChem CID 711306) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide
PubChem CID711306
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccc(F)cc4)ccc1c23
InChIInChI=1S/C20H15FN2O2/c1-2-23-17-11-10-16(14-4-3-5-15(18(14)17)20(23)25)22-19(24)12-6-8-13(21)9-7-12/h3-11H,2H2,1H3,(H,22,24)
InChIKeyBNROFBTVOJRNKR-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.21
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)-4-fluorobenzamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide (CID 711306) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide is CCN1C(=O)c2cccc3c(NC(=O)c4ccc(F)cc4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide?
The InChIKey is BNROFBTVOJRNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-2-23-17-11-10-16(14-4-3-5-15(18(14)17)20(23)25)22-19(24)12-6-8-13(21)9-7-12/h3-11H,2H2,1H3,(H,22,24).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-fluorobenzamide has a molecular weight of 334.35 g/mol, XLogP of 4.21, 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-fluorobenzamide is sourced from PubChem (CID 711306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).