(1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione

C20H14FNO3 — CID 98120800

IUPAC(1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
SMILESO=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12
InChIInChI=1S/C20H14FNO3/c21-13-7-3-4-8-14(13)22-19(24)17-12-9-15(23)16(18(17)20(22)25)11-6-2-1-5-10(11)12/h1-8,12,16-18H,9H2/t12-,16+,17+,18+/m0/s1
InChIKeyHNHOGNAJZQZXKZ-FCRVUTKVSA-N
MW335.33 g/mol
LogP2.79
Rot. Bonds1

About (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione

(1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione (PubChem CID 98120800) has the molecular formula C20H14FNO3 and a molecular weight of 335.33 g/mol. Its IUPAC name is (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione.

Molecular Properties

Compound Name(1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
PubChem CID98120800
Molecular FormulaC20H14FNO3
Molecular Weight335.33 g/mol
Exact Mass335.10
IUPAC Name(1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
SMILESO=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12
InChIInChI=1S/C20H14FNO3/c21-13-7-3-4-8-14(13)22-19(24)17-12-9-15(23)16(18(17)20(22)25)11-6-2-1-5-10(11)12/h1-8,12,16-18H,9H2/t12-,16+,17+,18+/m0/s1
InChIKeyHNHOGNAJZQZXKZ-FCRVUTKVSA-N
XLogP2.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione with MolForge

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Related Compounds

17-(2-fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 601379
(1R,8R,9S,13R)-11-(2-methylphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 124815766
(1R,8R,9R,13S)-11-(2-ethylphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 99721043
(1S,8R,9R,13R)-11-(4-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 11900549
(1S,8R,9R,13S)-11-(2,5-dimethylphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 11905273
(1S,8R,9R,13R)-11-(2,5-dimethylphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 7454050
(1S,8S,9S,13R)-11-(2,5-dimethylphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 98247574
(1R,8R,9S,13R)-11-(4-bromophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 124792843
(1S,8R,9S,13R)-11-(4-methylphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 7367675
(1R,8R,9S,13R)-11-(2,5-dimethoxyphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 124775735
(1R,8R,9R,13S)-11-(2,4,6-trimethylphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 124776001
(1R,8R,9S,13S)-11-pyridin-3-yl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 124723609

Frequently Asked Questions

What is the IUPAC name of (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
The IUPAC name of (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione (CID 98120800) is (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione.
What is the SMILES notation for (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
The canonical SMILES for (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione is O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12.
What is the InChIKey of (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
The InChIKey is HNHOGNAJZQZXKZ-FCRVUTKVSA-N. The full InChI is InChI=1S/C20H14FNO3/c21-13-7-3-4-8-14(13)22-19(24)17-12-9-15(23)16(18(17)20(22)25)11-6-2-1-5-10(11)12/h1-8,12,16-18H,9H2/t12-,16+,17+,18+/m0/s1.
What are the key properties of (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
(1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione has a molecular weight of 335.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9R,13R)-11-(2-fluorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione is sourced from PubChem (CID 98120800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).