N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide

C26H27FN4O2 — CID 3265818

IUPACN'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)NNC(=O)c2ccc(F)cc2)CCC3(C)C1(C)C
InChIInChI=1S/C26H27FN4O2/c1-14-12-18-19(13-15(14)2)29-21-20(28-18)25(5)10-11-26(21,24(25,3)4)23(33)31-30-22(32)16-6-8-17(27)9-7-16/h6-9,12-13H,10-11H2,1-5H3,(H,30,32)(H,31,33)
InChIKeyDOYOEOXIOHCFKE-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.18
Rot. Bonds2

About N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide

N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide (PubChem CID 3265818) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
PubChem CID3265818
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)NNC(=O)c2ccc(F)cc2)CCC3(C)C1(C)C
InChIInChI=1S/C26H27FN4O2/c1-14-12-18-19(13-15(14)2)29-21-20(28-18)25(5)10-11-26(21,24(25,3)4)23(33)31-30-22(32)16-6-8-17(27)9-7-16/h6-9,12-13H,10-11H2,1-5H3,(H,30,32)(H,31,33)
InChIKeyDOYOEOXIOHCFKE-UHFFFAOYSA-N
XLogP4.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.18
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)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide (CID 3265818) is N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide is Cc1cc2nc3c(nc2cc1C)C1(C(=O)NNC(=O)c2ccc(F)cc2)CCC3(C)C1(C)C.
What is the InChIKey of N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?
The InChIKey is DOYOEOXIOHCFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-14-12-18-19(13-15(14)2)29-21-20(28-18)25(5)10-11-26(21,24(25,3)4)23(33)31-30-22(32)16-6-8-17(27)9-7-16/h6-9,12-13H,10-11H2,1-5H3,(H,30,32)(H,31,33).
What are the key properties of N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide?
N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide has a molecular weight of 446.53 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide is sourced from PubChem (CID 3265818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).