15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C20H19FN2 — CID 15149412

IUPAC15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESFc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1Cc1ccccc1
InChIInChI=1S/C20H19FN2/c21-14-6-8-17-16(10-14)20-18(22-17)11-15-7-9-19(20)23(15)12-13-4-2-1-3-5-13/h1-6,8,10,15,19,22H,7,9,11-12H2
InChIKeyXNEILRWYILYORS-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.57
Rot. Bonds2

About 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 15149412) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID15149412
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESFc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1Cc1ccccc1
InChIInChI=1S/C20H19FN2/c21-14-6-8-17-16(10-14)20-18(22-17)11-15-7-9-19(20)23(15)12-13-4-2-1-3-5-13/h1-6,8,10,15,19,22H,7,9,11-12H2
InChIKeyXNEILRWYILYORS-UHFFFAOYSA-N
XLogP4.57
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 15149412) is 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is Fc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1Cc1ccccc1.
What is the InChIKey of 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is XNEILRWYILYORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c21-14-6-8-17-16(10-14)20-18(22-17)11-15-7-9-19(20)23(15)12-13-4-2-1-3-5-13/h1-6,8,10,15,19,22H,7,9,11-12H2.
What are the key properties of 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 306.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-benzyl-5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 15149412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).