8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide

C22H17FN2O2 — CID 10155422

IUPAC8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12
InChIInChI=1S/C22H17FN2O2/c23-16-7-9-17-18-8-6-15(12-20(18)25-22(27)19(17)13-16)21(26)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,26)(H,25,27)
InChIKeyZYYFYOJMSXGBHS-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.79
Rot. Bonds4

About 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide

8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide (PubChem CID 10155422) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide
PubChem CID10155422
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12
InChIInChI=1S/C22H17FN2O2/c23-16-7-9-17-18-8-6-15(12-20(18)25-22(27)19(17)13-16)21(26)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,26)(H,25,27)
InChIKeyZYYFYOJMSXGBHS-UHFFFAOYSA-N
XLogP3.79
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide?
The IUPAC name of 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide (CID 10155422) is 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide.
What is the SMILES notation for 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide?
The canonical SMILES for 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12.
What is the InChIKey of 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide?
The InChIKey is ZYYFYOJMSXGBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-16-7-9-17-18-8-6-15(12-20(18)25-22(27)19(17)13-16)21(26)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,26)(H,25,27).
What are the key properties of 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide?
8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-oxo-N-(2-phenylethyl)-5H-phenanthridine-3-carboxamide is sourced from PubChem (CID 10155422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).