6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

C23H19Cl2FN4O2 — CID 18834754

IUPAC6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCC1(C)C2CCC1(C(=O)NNC(=O)c1ccc(F)cc1)c1nc3cc(Cl)c(Cl)cc3nc12
InChIInChI=1S/C23H19Cl2FN4O2/c1-22(2)13-7-8-23(22,21(32)30-29-20(31)11-3-5-12(26)6-4-11)19-18(13)27-16-9-14(24)15(25)10-17(16)28-19/h3-6,9-10,13H,7-8H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyCFNNGUFDDUHARF-UHFFFAOYSA-N
MW473.34 g/mol
LogP4.69
Rot. Bonds2

About 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (PubChem CID 18834754) has the molecular formula C23H19Cl2FN4O2 and a molecular weight of 473.34 g/mol. Its IUPAC name is 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide.

Molecular Properties

Compound Name6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
PubChem CID18834754
Molecular FormulaC23H19Cl2FN4O2
Molecular Weight473.34 g/mol
Exact Mass472.09
IUPAC Name6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCC1(C)C2CCC1(C(=O)NNC(=O)c1ccc(F)cc1)c1nc3cc(Cl)c(Cl)cc3nc12
InChIInChI=1S/C23H19Cl2FN4O2/c1-22(2)13-7-8-23(22,21(32)30-29-20(31)11-3-5-12(26)6-4-11)19-18(13)27-16-9-14(24)15(25)10-17(16)28-19/h3-6,9-10,13H,7-8H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyCFNNGUFDDUHARF-UHFFFAOYSA-N
XLogP4.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.34
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-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 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The IUPAC name of 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (CID 18834754) is 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-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 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The canonical SMILES for 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is CC1(C)C2CCC1(C(=O)NNC(=O)c1ccc(F)cc1)c1nc3cc(Cl)c(Cl)cc3nc12.
What is the InChIKey of 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The InChIKey is CFNNGUFDDUHARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN4O2/c1-22(2)13-7-8-23(22,21(32)30-29-20(31)11-3-5-12(26)6-4-11)19-18(13)27-16-9-14(24)15(25)10-17(16)28-19/h3-6,9-10,13H,7-8H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide has a molecular weight of 473.34 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is sourced from PubChem (CID 18834754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).