11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

C22H17FN2O3 — CID 4915893

IUPAC11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCN1C(=O)C2C(C1=O)C1c3ccccc3C=CN1C2C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O3/c1-24-21(27)16-17(22(24)28)19(20(26)13-6-8-14(23)9-7-13)25-11-10-12-4-2-3-5-15(12)18(16)25/h2-11,16-19H,1H3
InChIKeyPALMNRKJZYOPEU-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.65
Rot. Bonds2

About 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (PubChem CID 4915893) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.

Molecular Properties

Compound Name11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
PubChem CID4915893
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESCN1C(=O)C2C(C1=O)C1c3ccccc3C=CN1C2C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O3/c1-24-21(27)16-17(22(24)28)19(20(26)13-6-8-14(23)9-7-13)25-11-10-12-4-2-3-5-15(12)18(16)25/h2-11,16-19H,1H3
InChIKeyPALMNRKJZYOPEU-UHFFFAOYSA-N
XLogP2.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The IUPAC name of 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (CID 4915893) is 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.
What is the SMILES notation for 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The canonical SMILES for 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is CN1C(=O)C2C(C1=O)C1c3ccccc3C=CN1C2C(=O)c1ccc(F)cc1.
What is the InChIKey of 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The InChIKey is PALMNRKJZYOPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-24-21(27)16-17(22(24)28)19(20(26)13-6-8-14(23)9-7-13)25-11-10-12-4-2-3-5-15(12)18(16)25/h2-11,16-19H,1H3.
What are the key properties of 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione has a molecular weight of 376.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-fluorobenzoyl)-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is sourced from PubChem (CID 4915893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).