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

C22H18Cl2FN3O — CID 18834647

IUPAC6,7-dichloro-N-(2-fluorophenyl)-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)Nc1ccccc1F)c1nc3cc(Cl)c(Cl)cc3nc12
InChIInChI=1S/C22H18Cl2FN3O/c1-21(2)11-7-8-22(21,20(29)28-15-6-4-3-5-14(15)25)19-18(11)26-16-9-12(23)13(24)10-17(16)27-19/h3-6,9-11H,7-8H2,1-2H3,(H,28,29)
InChIKeyFLTHWLOOEOIJBK-UHFFFAOYSA-N
MW430.31 g/mol
LogP5.87
Rot. Bonds2

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

6,7-dichloro-N-(2-fluorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 18834647) has the molecular formula C22H18Cl2FN3O and a molecular weight of 430.31 g/mol. Its IUPAC name is 6,7-dichloro-N-(2-fluorophenyl)-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 Name6,7-dichloro-N-(2-fluorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID18834647
Molecular FormulaC22H18Cl2FN3O
Molecular Weight430.31 g/mol
Exact Mass429.08
IUPAC Name6,7-dichloro-N-(2-fluorophenyl)-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)Nc1ccccc1F)c1nc3cc(Cl)c(Cl)cc3nc12
InChIInChI=1S/C22H18Cl2FN3O/c1-21(2)11-7-8-22(21,20(29)28-15-6-4-3-5-14(15)25)19-18(11)26-16-9-12(23)13(24)10-17(16)27-19/h3-6,9-11H,7-8H2,1-2H3,(H,28,29)
InChIKeyFLTHWLOOEOIJBK-UHFFFAOYSA-N
XLogP5.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dichloro-N-(2-fluorophenyl)-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 6,7-dichloro-N-(2-fluorophenyl)-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 6,7-dichloro-N-(2-fluorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 18834647) is 6,7-dichloro-N-(2-fluorophenyl)-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 6,7-dichloro-N-(2-fluorophenyl)-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 6,7-dichloro-N-(2-fluorophenyl)-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)Nc1ccccc1F)c1nc3cc(Cl)c(Cl)cc3nc12.
What is the InChIKey of 6,7-dichloro-N-(2-fluorophenyl)-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 FLTHWLOOEOIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FN3O/c1-21(2)11-7-8-22(21,20(29)28-15-6-4-3-5-14(15)25)19-18(11)26-16-9-12(23)13(24)10-17(16)27-19/h3-6,9-11H,7-8H2,1-2H3,(H,28,29).
What are the key properties of 6,7-dichloro-N-(2-fluorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
6,7-dichloro-N-(2-fluorophenyl)-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 430.31 g/mol, XLogP of 5.87, 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-fluorophenyl)-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 18834647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).