N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

C24H23FN4O2 — CID 4728797

IUPACN'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCC12CCC(C(=O)NNC(=O)c3ccc(F)cc3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C24H23FN4O2/c1-22(2)23(3)12-13-24(22,19-18(23)26-16-6-4-5-7-17(16)27-19)21(31)29-28-20(30)14-8-10-15(25)11-9-14/h4-11H,12-13H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyGPAOGPCOKLTHOH-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.56
Rot. Bonds2

About N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (PubChem CID 4728797) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
PubChem CID4728797
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCC12CCC(C(=O)NNC(=O)c3ccc(F)cc3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C24H23FN4O2/c1-22(2)23(3)12-13-24(22,19-18(23)26-16-6-4-5-7-17(16)27-19)21(31)29-28-20(30)14-8-10-15(25)11-9-14/h4-11H,12-13H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyGPAOGPCOKLTHOH-UHFFFAOYSA-N
XLogP3.56
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (CID 4728797) is N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is CC12CCC(C(=O)NNC(=O)c3ccc(F)cc3)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The InChIKey is GPAOGPCOKLTHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-22(2)23(3)12-13-24(22,19-18(23)26-16-6-4-5-7-17(16)27-19)21(31)29-28-20(30)14-8-10-15(25)11-9-14/h4-11H,12-13H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide has a molecular weight of 418.47 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is sourced from PubChem (CID 4728797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).