3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide

C26H20N4O4 — CID 151510869

IUPAC3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide
SMILESNC(=O)c1cccc(-c2ccc3cc(-c4cccc(C(N)=O)c4C(N)=O)ccc3c2)c1C(N)=O
InChIInChI=1S/C26H20N4O4/c27-23(31)19-5-1-3-17(21(19)25(29)33)15-9-7-14-12-16(10-8-13(14)11-15)18-4-2-6-20(24(28)32)22(18)26(30)34/h1-12H,(H2,27,31)(H2,28,32)(H2,29,33)(H2,30,34)
InChIKeyPSLGTAWIIWFXEY-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.57
Rot. Bonds6

About 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide

3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide (PubChem CID 151510869) has the molecular formula C26H20N4O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide
PubChem CID151510869
Molecular FormulaC26H20N4O4
Molecular Weight452.47 g/mol
Exact Mass452.15
IUPAC Name3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide
SMILESNC(=O)c1cccc(-c2ccc3cc(-c4cccc(C(N)=O)c4C(N)=O)ccc3c2)c1C(N)=O
InChIInChI=1S/C26H20N4O4/c27-23(31)19-5-1-3-17(21(19)25(29)33)15-9-7-14-12-16(10-8-13(14)11-15)18-4-2-6-20(24(28)32)22(18)26(30)34/h1-12H,(H2,27,31)(H2,28,32)(H2,29,33)(H2,30,34)
InChIKeyPSLGTAWIIWFXEY-UHFFFAOYSA-N
XLogP2.57
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide (CID 151510869) is 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide is NC(=O)c1cccc(-c2ccc3cc(-c4cccc(C(N)=O)c4C(N)=O)ccc3c2)c1C(N)=O.
What is the InChIKey of 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide?
The InChIKey is PSLGTAWIIWFXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4/c27-23(31)19-5-1-3-17(21(19)25(29)33)15-9-7-14-12-16(10-8-13(14)11-15)18-4-2-6-20(24(28)32)22(18)26(30)34/h1-12H,(H2,27,31)(H2,28,32)(H2,29,33)(H2,30,34).
What are the key properties of 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide?
3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide has a molecular weight of 452.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 151510869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).