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

C23H20Cl2FN3O — CID 5198846

IUPAC6,7-dichloro-N-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccc(F)cc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C23H20Cl2FN3O/c1-21(2)22(3)8-9-23(21,20(30)27-13-6-4-12(26)5-7-13)19-18(22)28-16-10-14(24)15(25)11-17(16)29-19/h4-7,10-11H,8-9H2,1-3H3,(H,27,30)
InChIKeyVVHLJUBUUICEAS-UHFFFAOYSA-N
MW444.34 g/mol
LogP6.04
Rot. Bonds2

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

6,7-dichloro-N-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 5198846) has the molecular formula C23H20Cl2FN3O and a molecular weight of 444.34 g/mol. Its IUPAC name is 6,7-dichloro-N-(4-fluorophenyl)-12,15,15-trimethyl-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-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID5198846
Molecular FormulaC23H20Cl2FN3O
Molecular Weight444.34 g/mol
Exact Mass443.10
IUPAC Name6,7-dichloro-N-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccc(F)cc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C23H20Cl2FN3O/c1-21(2)22(3)8-9-23(21,20(30)27-13-6-4-12(26)5-7-13)19-18(22)28-16-10-14(24)15(25)11-17(16)29-19/h4-7,10-11H,8-9H2,1-3H3,(H,27,30)
InChIKeyVVHLJUBUUICEAS-UHFFFAOYSA-N
XLogP6.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.34
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dichloro-N-(4-fluorophenyl)-12,15,15-trimethyl-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-(4-fluorophenyl)-12,15,15-trimethyl-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-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 5198846) is 6,7-dichloro-N-(4-fluorophenyl)-12,15,15-trimethyl-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-(4-fluorophenyl)-12,15,15-trimethyl-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-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC12CCC(C(=O)Nc3ccc(F)cc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.
What is the InChIKey of 6,7-dichloro-N-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is VVHLJUBUUICEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FN3O/c1-21(2)22(3)8-9-23(21,20(30)27-13-6-4-12(26)5-7-13)19-18(22)28-16-10-14(24)15(25)11-17(16)29-19/h4-7,10-11H,8-9H2,1-3H3,(H,27,30).
What are the key properties of 6,7-dichloro-N-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
6,7-dichloro-N-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 444.34 g/mol, XLogP of 6.04, 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-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 5198846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).