tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide

C14H10N2O2 — CID 68734133

IUPACtricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide
SMILESNC(=O)c1ccc2c(C(N)=O)c1-c1ccc-2cc1
InChIInChI=1S/C14H10N2O2/c15-13(17)10-6-5-9-7-1-3-8(4-2-7)11(10)12(9)14(16)18/h1-6H,(H2,15,17)(H2,16,18)
InChIKeyHBLQHXHZXMVPJD-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.53
Rot. Bonds2

About tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide

tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide (PubChem CID 68734133) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide.

Molecular Properties

Compound Nametricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide
PubChem CID68734133
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Nametricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide
SMILESNC(=O)c1ccc2c(C(N)=O)c1-c1ccc-2cc1
InChIInChI=1S/C14H10N2O2/c15-13(17)10-6-5-9-7-1-3-8(4-2-7)11(10)12(9)14(16)18/h1-6H,(H2,15,17)(H2,16,18)
InChIKeyHBLQHXHZXMVPJD-UHFFFAOYSA-N
XLogP1.53
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide with MolForge

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Related Compounds

3,4-bis(4-methylphenyl)benzene-1,2-dicarboxamide
CID 174942575
benzene-1,2,3,4-tetracarboxamide
CID 54274025
2-bromo-3,5-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 142726441
2,6-bis(4-methylphenyl)benzamide
CID 11301076
2,5-bis[4-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzene-1,3-dicarboxamide
CID 139790014
5-amino-2-(4-aminophenyl)benzamide
CID 68787804
2,4-bis(4-carbonochloridoylphenyl)benzene-1,3-dicarboxylate
CID 22402593
3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide
CID 151510869
3-hydroxy-6-phenylbenzene-1,2-dicarboxamide
CID 68648251
2,3-diphenylbenzamide;phosphoric acid
CID 68745056
2-(4-aminophenyl)-6-carbamoylbenzoic acid
CID 158760477
2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide
CID 89422005

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide?
The IUPAC name of tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide (CID 68734133) is tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide.
What is the SMILES notation for tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide?
The canonical SMILES for tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide is NC(=O)c1ccc2c(C(N)=O)c1-c1ccc-2cc1.
What is the InChIKey of tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide?
The InChIKey is HBLQHXHZXMVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-13(17)10-6-5-9-7-1-3-8(4-2-7)11(10)12(9)14(16)18/h1-6H,(H2,15,17)(H2,16,18).
What are the key properties of tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide?
tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.2.12,6]dodeca-1(9),2,4,6(12),7,10-hexaene-3,12-dicarboxamide is sourced from PubChem (CID 68734133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).