N'-[2-(2,4-dichlorophenoxy)acetyl]-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

C27H28Cl2N4O3 — CID 3268281

About N'-[2-(2,4-dichlorophenoxy)acetyl]-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'-[2-(2,4-dichlorophenoxy)acetyl]-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 3268281) has the molecular formula C27H28Cl2N4O3 and a molecular weight of 527.45 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-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 Name: N'-[2-(2,4-dichlorophenoxy)acetyl]-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: 3268281
• Molecular Formula: C27H28Cl2N4O3
• Molecular Weight: 527.45 g/mol
• Exact Mass: 526.15
• IUPAC Name: N'-[2-(2,4-dichlorophenoxy)acetyl]-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
• SMILES: Cc1cc2nc3c(nc2cc1C)C1(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)CCC3(C)C1(C)C
• InChI: InChI=1S/C27H28Cl2N4O3/c1-14-10-18-19(11-15(14)2)31-23-22(30-18)26(5)8-9-27(23,25(26,3)4)24(35)33-32-21(34)13-36-20-7-6-16(28)12-17(20)29/h6-7,10-12H,8-9,13H2,1-5H3,(H,32,34)(H,33,35)
• InChIKey: MOXQUQLJUOYDKG-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.45
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-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'-[2-(2,4-dichlorophenoxy)acetyl]-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 3268281) is N'-[2-(2,4-dichlorophenoxy)acetyl]-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'-[2-(2,4-dichlorophenoxy)acetyl]-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'-[2-(2,4-dichlorophenoxy)acetyl]-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)COc2ccc(Cl)cc2Cl)CCC3(C)C1(C)C.

What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-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 MOXQUQLJUOYDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O3/c1-14-10-18-19(11-15(14)2)31-23-22(30-18)26(5)8-9-27(23,25(26,3)4)24(35)33-32-21(34)13-36-20-7-6-16(28)12-17(20)29/h6-7,10-12H,8-9,13H2,1-5H3,(H,32,34)(H,33,35).

What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-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'-[2-(2,4-dichlorophenoxy)acetyl]-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 527.45 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-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 3268281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).