N'-benzoyl-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

C24H22Cl2N4O2 — CID 3248505

IUPACN'-benzoyl-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
SMILESCC12CCC(C(=O)NNC(=O)c3ccccc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C24H22Cl2N4O2/c1-22(2)23(3)9-10-24(22,21(32)30-29-20(31)13-7-5-4-6-8-13)19-18(23)27-16-11-14(25)15(26)12-17(16)28-19/h4-8,11-12H,9-10H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyCGCTUOAYLDIKPQ-UHFFFAOYSA-N
MW469.37 g/mol
LogP4.73
Rot. Bonds2

About N'-benzoyl-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'-benzoyl-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 3248505) has the molecular formula C24H22Cl2N4O2 and a molecular weight of 469.37 g/mol. Its IUPAC name is N'-benzoyl-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 NameN'-benzoyl-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 CID3248505
Molecular FormulaC24H22Cl2N4O2
Molecular Weight469.37 g/mol
Exact Mass468.11
IUPAC NameN'-benzoyl-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
SMILESCC12CCC(C(=O)NNC(=O)c3ccccc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C24H22Cl2N4O2/c1-22(2)23(3)9-10-24(22,21(32)30-29-20(31)13-7-5-4-6-8-13)19-18(23)27-16-11-14(25)15(26)12-17(16)28-19/h4-8,11-12H,9-10H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyCGCTUOAYLDIKPQ-UHFFFAOYSA-N
XLogP4.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-benzoyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-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'-benzoyl-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 3248505) is N'-benzoyl-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'-benzoyl-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'-benzoyl-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)c3ccccc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.
What is the InChIKey of N'-benzoyl-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 CGCTUOAYLDIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2/c1-22(2)23(3)9-10-24(22,21(32)30-29-20(31)13-7-5-4-6-8-13)19-18(23)27-16-11-14(25)15(26)12-17(16)28-19/h4-8,11-12H,9-10H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N'-benzoyl-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'-benzoyl-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 469.37 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-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 3248505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).