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

C24H20Cl2F3N3O — CID 5198838

IUPAC6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3cccc(C(F)(F)F)c3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C24H20Cl2F3N3O/c1-21(2)22(3)7-8-23(21,20(33)30-13-6-4-5-12(9-13)24(27,28)29)19-18(22)31-16-10-14(25)15(26)11-17(16)32-19/h4-6,9-11H,7-8H2,1-3H3,(H,30,33)
InChIKeyPRYHKDHPFOWOGJ-UHFFFAOYSA-N
MW494.34 g/mol
LogP6.92
Rot. Bonds2

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

6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 5198838) has the molecular formula C24H20Cl2F3N3O and a molecular weight of 494.34 g/mol. Its IUPAC name is 6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID5198838
Molecular FormulaC24H20Cl2F3N3O
Molecular Weight494.34 g/mol
Exact Mass493.09
IUPAC Name6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3cccc(C(F)(F)F)c3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C24H20Cl2F3N3O/c1-21(2)22(3)7-8-23(21,20(33)30-13-6-4-5-12(9-13)24(27,28)29)19-18(22)31-16-10-14(25)15(26)11-17(16)32-19/h4-6,9-11H,7-8H2,1-3H3,(H,30,33)
InChIKeyPRYHKDHPFOWOGJ-UHFFFAOYSA-N
XLogP6.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.34
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-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-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 5198838) is 6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-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-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-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-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC12CCC(C(=O)Nc3cccc(C(F)(F)F)c3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.
What is the InChIKey of 6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is PRYHKDHPFOWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F3N3O/c1-21(2)22(3)7-8-23(21,20(33)30-13-6-4-5-12(9-13)24(27,28)29)19-18(22)31-16-10-14(25)15(26)11-17(16)32-19/h4-6,9-11H,7-8H2,1-3H3,(H,30,33).
What are the key properties of 6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 494.34 g/mol, XLogP of 6.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-12,15,15-trimethyl-N-[3-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 5198838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).