N-(2,5-dichlorophenyl)-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-carboxamide

C25H25Cl2N3O — CID 3262284

IUPACN-(2,5-dichlorophenyl)-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-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)Nc2cc(Cl)ccc2Cl)CCC3(C)C1(C)C
InChIInChI=1S/C25H25Cl2N3O/c1-13-10-18-19(11-14(13)2)29-21-20(28-18)24(5)8-9-25(21,23(24,3)4)22(31)30-17-12-15(26)6-7-16(17)27/h6-7,10-12H,8-9H2,1-5H3,(H,30,31)
InChIKeyVVFRICLOGAAOGA-UHFFFAOYSA-N
MW454.40 g/mol
LogP6.52
Rot. Bonds2

About N-(2,5-dichlorophenyl)-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-carboxamide

N-(2,5-dichlorophenyl)-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-carboxamide (PubChem CID 3262284) has the molecular formula C25H25Cl2N3O and a molecular weight of 454.40 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-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-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-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-carboxamide
PubChem CID3262284
Molecular FormulaC25H25Cl2N3O
Molecular Weight454.40 g/mol
Exact Mass453.14
IUPAC NameN-(2,5-dichlorophenyl)-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-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)Nc2cc(Cl)ccc2Cl)CCC3(C)C1(C)C
InChIInChI=1S/C25H25Cl2N3O/c1-13-10-18-19(11-14(13)2)29-21-20(28-18)24(5)8-9-25(21,23(24,3)4)22(31)30-17-12-15(26)6-7-16(17)27/h6-7,10-12H,8-9H2,1-5H3,(H,30,31)
InChIKeyVVFRICLOGAAOGA-UHFFFAOYSA-N
XLogP6.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.40
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dichlorophenyl)-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-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-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-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-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-carboxamide (CID 3262284) is N-(2,5-dichlorophenyl)-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-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-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-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-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-carboxamide is Cc1cc2nc3c(nc2cc1C)C1(C(=O)Nc2cc(Cl)ccc2Cl)CCC3(C)C1(C)C.
What is the InChIKey of N-(2,5-dichlorophenyl)-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-carboxamide?
The InChIKey is VVFRICLOGAAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O/c1-13-10-18-19(11-14(13)2)29-21-20(28-18)24(5)8-9-25(21,23(24,3)4)22(31)30-17-12-15(26)6-7-16(17)27/h6-7,10-12H,8-9H2,1-5H3,(H,30,31).
What are the key properties of N-(2,5-dichlorophenyl)-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-carboxamide?
N-(2,5-dichlorophenyl)-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-carboxamide has a molecular weight of 454.40 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-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-carboxamide is sourced from PubChem (CID 3262284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).