4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide

C25H23FN2O2 — CID 44579236

IUPAC4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C25H23FN2O2/c26-20-13-11-19(12-14-20)25(30)28-16-24(29)27-15-23-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)23/h1-8,11-14,23H,9-10,15-16H2,(H,27,29)(H,28,30)
InChIKeyWDADGFYGRSIPGG-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.60
Rot. Bonds5

About 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide

4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide (PubChem CID 44579236) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide
PubChem CID44579236
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C25H23FN2O2/c26-20-13-11-19(12-14-20)25(30)28-16-24(29)27-15-23-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)23/h1-8,11-14,23H,9-10,15-16H2,(H,27,29)(H,28,30)
InChIKeyWDADGFYGRSIPGG-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide (CID 44579236) is 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NCC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide?
The InChIKey is WDADGFYGRSIPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c26-20-13-11-19(12-14-20)25(30)28-16-24(29)27-15-23-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)23/h1-8,11-14,23H,9-10,15-16H2,(H,27,29)(H,28,30).
What are the key properties of 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide?
4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide has a molecular weight of 402.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylamino)ethyl]benzamide is sourced from PubChem (CID 44579236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).