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

C24H22F3N3O — CID 2950627

IUPAC12,15,15-trimethyl-N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccccc3C(F)(F)F)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C24H22F3N3O/c1-21(2)22(3)12-13-23(21,19-18(22)28-16-10-6-7-11-17(16)29-19)20(31)30-15-9-5-4-8-14(15)24(25,26)27/h4-11H,12-13H2,1-3H3,(H,30,31)
InChIKeyKOVQRPKIMYZUMM-UHFFFAOYSA-N
MW425.45 g/mol
LogP5.62
Rot. Bonds2

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

12,15,15-trimethyl-N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 2950627) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is 12,15,15-trimethyl-N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name12,15,15-trimethyl-N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID2950627
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name12,15,15-trimethyl-N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccccc3C(F)(F)F)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C24H22F3N3O/c1-21(2)22(3)12-13-23(21,19-18(22)28-16-10-6-7-11-17(16)29-19)20(31)30-15-9-5-4-8-14(15)24(25,26)27/h4-11H,12-13H2,1-3H3,(H,30,31)
InChIKeyKOVQRPKIMYZUMM-UHFFFAOYSA-N
XLogP5.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12,15,15-trimethyl-N-[2-(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 12,15,15-trimethyl-N-[2-(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 12,15,15-trimethyl-N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 2950627) is 12,15,15-trimethyl-N-[2-(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 12,15,15-trimethyl-N-[2-(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 12,15,15-trimethyl-N-[2-(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)Nc3ccccc3C(F)(F)F)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of 12,15,15-trimethyl-N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is KOVQRPKIMYZUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O/c1-21(2)22(3)12-13-23(21,19-18(22)28-16-10-6-7-11-17(16)29-19)20(31)30-15-9-5-4-8-14(15)24(25,26)27/h4-11H,12-13H2,1-3H3,(H,30,31).
What are the key properties of 12,15,15-trimethyl-N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
12,15,15-trimethyl-N-[2-(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 425.45 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15,15-trimethyl-N-[2-(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 2950627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).