12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide

C25H17Cl4N3O — CID 11548078

IUPAC12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2
InChIInChI=1S/C25H17Cl4N3O/c26-15-4-8-18(9-5-15)30-25(33)23-20-3-1-2-14-12-16(27)6-10-19(14)24(20)32(31-23)22-11-7-17(28)13-21(22)29/h4-13H,1-3H2,(H,30,33)
InChIKeyFUJOOFPRNSDVMY-UHFFFAOYSA-N
MW517.24 g/mol
LogP7.89
Rot. Bonds3

About 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide

12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide (PubChem CID 11548078) has the molecular formula C25H17Cl4N3O and a molecular weight of 517.24 g/mol. Its IUPAC name is 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
PubChem CID11548078
Molecular FormulaC25H17Cl4N3O
Molecular Weight517.24 g/mol
Exact Mass515.01
IUPAC Name12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2
InChIInChI=1S/C25H17Cl4N3O/c26-15-4-8-18(9-5-15)30-25(33)23-20-3-1-2-14-12-16(27)6-10-19(14)24(20)32(31-23)22-11-7-17(28)13-21(22)29/h4-13H,1-3H2,(H,30,33)
InChIKeyFUJOOFPRNSDVMY-UHFFFAOYSA-N
XLogP7.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.24
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?
The IUPAC name of 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide (CID 11548078) is 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?
The canonical SMILES for 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2.
What is the InChIKey of 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?
The InChIKey is FUJOOFPRNSDVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl4N3O/c26-15-4-8-18(9-5-15)30-25(33)23-20-3-1-2-14-12-16(27)6-10-19(14)24(20)32(31-23)22-11-7-17(28)13-21(22)29/h4-13H,1-3H2,(H,30,33).
What are the key properties of 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?
12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide has a molecular weight of 517.24 g/mol, XLogP of 7.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 11548078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).