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

C24H21BrCl2N4O2 — CID 3248509

About N'-(4-bromobenzoyl)-6,7-dichloro-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-bromobenzoyl)-6,7-dichloro-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 3248509) has the molecular formula C24H21BrCl2N4O2 and a molecular weight of 548.27 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-6,7-dichloro-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 Name: N'-(4-bromobenzoyl)-6,7-dichloro-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: 3248509
• Molecular Formula: C24H21BrCl2N4O2
• Molecular Weight: 548.27 g/mol
• Exact Mass: 546.02
• IUPAC Name: N'-(4-bromobenzoyl)-6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
• SMILES: CC12CCC(C(=O)NNC(=O)c3ccc(Br)cc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
• InChI: InChI=1S/C24H21BrCl2N4O2/c1-22(2)23(3)8-9-24(22,21(33)31-30-20(32)12-4-6-13(25)7-5-12)19-18(23)28-16-10-14(26)15(27)11-17(16)29-19/h4-7,10-11H,8-9H2,1-3H3,(H,30,32)(H,31,33)
• InChIKey: WVXVEGUSNMHHIK-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.27
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-6,7-dichloro-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-bromobenzoyl)-6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (CID 3248509) is N'-(4-bromobenzoyl)-6,7-dichloro-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-bromobenzoyl)-6,7-dichloro-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-bromobenzoyl)-6,7-dichloro-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(Br)cc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.

What is the InChIKey of N'-(4-bromobenzoyl)-6,7-dichloro-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 WVXVEGUSNMHHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrCl2N4O2/c1-22(2)23(3)8-9-24(22,21(33)31-30-20(32)12-4-6-13(25)7-5-12)19-18(23)28-16-10-14(26)15(27)11-17(16)29-19/h4-7,10-11H,8-9H2,1-3H3,(H,30,32)(H,31,33).

What are the key properties of N'-(4-bromobenzoyl)-6,7-dichloro-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-bromobenzoyl)-6,7-dichloro-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 548.27 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-bromobenzoyl)-6,7-dichloro-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 3248509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).