6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

C25H24Cl2N4O2 — CID 3248506

IUPAC6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C23CCC(C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1
InChIInChI=1S/C25H24Cl2N4O2/c1-13-5-7-14(8-6-13)21(32)30-31-22(33)25-10-9-24(4,23(25,2)3)19-20(25)29-18-12-16(27)15(26)11-17(18)28-19/h5-8,11-12H,9-10H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyHABKOYOEJXGDIM-UHFFFAOYSA-N
MW483.40 g/mol
LogP5.04
Rot. Bonds2

About 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (PubChem CID 3248506) has the molecular formula C25H24Cl2N4O2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-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-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
PubChem CID3248506
Molecular FormulaC25H24Cl2N4O2
Molecular Weight483.40 g/mol
Exact Mass482.13
IUPAC Name6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C23CCC(C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1
InChIInChI=1S/C25H24Cl2N4O2/c1-13-5-7-14(8-6-13)21(32)30-31-22(33)25-10-9-24(4,23(25,2)3)19-20(25)29-18-12-16(27)15(26)11-17(18)28-19/h5-8,11-12H,9-10H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyHABKOYOEJXGDIM-UHFFFAOYSA-N
XLogP5.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 55.04
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-12,15,15-trimethyl-N'-(4-methylbenzoyl)-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-12,15,15-trimethyl-N'-(4-methylbenzoyl)-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-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (CID 3248506) is 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-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-12,15,15-trimethyl-N'-(4-methylbenzoyl)-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-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C23CCC(C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1.
What is the InChIKey of 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The InChIKey is HABKOYOEJXGDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2/c1-13-5-7-14(8-6-13)21(32)30-31-22(33)25-10-9-24(4,23(25,2)3)19-20(25)29-18-12-16(27)15(26)11-17(18)28-19/h5-8,11-12H,9-10H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide has a molecular weight of 483.40 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylbenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is sourced from PubChem (CID 3248506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).