N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C22H19Cl2N3O — CID 18834556

IUPACN-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)Nc1cccc(Cl)c1Cl)c1nc3ccccc3nc12
InChIInChI=1S/C22H19Cl2N3O/c1-21(2)12-10-11-22(21,20(28)27-16-9-5-6-13(23)17(16)24)19-18(12)25-14-7-3-4-8-15(14)26-19/h3-9,12H,10-11H2,1-2H3,(H,27,28)
InChIKeyMBEFDSQBSWFPFW-UHFFFAOYSA-N
MW412.32 g/mol
LogP5.73
Rot. Bonds2

About N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 18834556) has the molecular formula C22H19Cl2N3O and a molecular weight of 412.32 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID18834556
Molecular FormulaC22H19Cl2N3O
Molecular Weight412.32 g/mol
Exact Mass411.09
IUPAC NameN-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)Nc1cccc(Cl)c1Cl)c1nc3ccccc3nc12
InChIInChI=1S/C22H19Cl2N3O/c1-21(2)12-10-11-22(21,20(28)27-16-9-5-6-13(23)17(16)24)19-18(12)25-14-7-3-4-8-15(14)26-19/h3-9,12H,10-11H2,1-2H3,(H,27,28)
InChIKeyMBEFDSQBSWFPFW-UHFFFAOYSA-N
XLogP5.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dichlorophenyl)-15,15-dimethyl-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 N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 18834556) is N-(2,3-dichlorophenyl)-15,15-dimethyl-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 N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC1(C)C2CCC1(C(=O)Nc1cccc(Cl)c1Cl)c1nc3ccccc3nc12.
What is the InChIKey of N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is MBEFDSQBSWFPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O/c1-21(2)12-10-11-22(21,20(28)27-16-9-5-6-13(23)17(16)24)19-18(12)25-14-7-3-4-8-15(14)26-19/h3-9,12H,10-11H2,1-2H3,(H,27,28).
What are the key properties of N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 412.32 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 18834556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).