6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C24H19Cl3F3N3O — CID 5186775

About 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 5186775) has the molecular formula C24H19Cl3F3N3O and a molecular weight of 528.79 g/mol. Its IUPAC name is 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

• Compound Name: 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
• PubChem CID: 5186775
• Molecular Formula: C24H19Cl3F3N3O
• Molecular Weight: 528.79 g/mol
• Exact Mass: 527.05
• IUPAC Name: 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
• SMILES: CC12CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
• InChI: InChI=1S/C24H19Cl3F3N3O/c1-21(2)22(3)6-7-23(21,19-18(22)31-16-9-13(26)14(27)10-17(16)32-19)20(34)33-15-8-11(24(28,29)30)4-5-12(15)25/h4-5,8-10H,6-7H2,1-3H3,(H,33,34)
• InChIKey: PCJIRPSEKOPVHN-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.79
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?

The IUPAC name of 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 5186775) is 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

What is the SMILES notation for 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?

The canonical SMILES for 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC12CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.

What is the InChIKey of 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?

The InChIKey is PCJIRPSEKOPVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3F3N3O/c1-21(2)22(3)6-7-23(21,19-18(22)31-16-9-13(26)14(27)10-17(16)32-19)20(34)33-15-8-11(24(28,29)30)4-5-12(15)25/h4-5,8-10H,6-7H2,1-3H3,(H,33,34).

What are the key properties of 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?

6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 528.79 g/mol, XLogP of 7.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 5186775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).