N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide

C20H15FN2O2 — CID 3480028

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4cccc(F)c4)ccc1c23
InChIInChI=1S/C20H15FN2O2/c1-2-23-17-10-9-16(14-7-4-8-15(18(14)17)20(23)25)22-19(24)12-5-3-6-13(21)11-12/h3-11H,2H2,1H3,(H,22,24)
InChIKeyCKFIHBKZXTYDPD-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.21
Rot. Bonds3

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide (PubChem CID 3480028) 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)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide
PubChem CID3480028
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4cccc(F)c4)ccc1c23
InChIInChI=1S/C20H15FN2O2/c1-2-23-17-10-9-16(14-7-4-8-15(18(14)17)20(23)25)22-19(24)12-5-3-6-13(21)11-12/h3-11H,2H2,1H3,(H,22,24)
InChIKeyCKFIHBKZXTYDPD-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)-3-fluorobenzamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide (CID 3480028) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide is CCN1C(=O)c2cccc3c(NC(=O)c4cccc(F)c4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide?
The InChIKey is CKFIHBKZXTYDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-2-23-17-10-9-16(14-7-4-8-15(18(14)17)20(23)25)22-19(24)12-5-3-6-13(21)11-12/h3-11H,2H2,1H3,(H,22,24).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-fluorobenzamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-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)-3-fluorobenzamide is sourced from PubChem (CID 3480028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).