9H-xanthene-4,5-dicarboxamide

C15H12N2O3 — CID 162768624

IUPAC9H-xanthene-4,5-dicarboxamide
SMILESNC(=O)c1cccc2c1Oc1c(cccc1C(N)=O)C2
InChIInChI=1S/C15H12N2O3/c16-14(18)10-5-1-3-8-7-9-4-2-6-11(15(17)19)13(9)20-12(8)10/h1-6H,7H2,(H2,16,18)(H2,17,19)
InChIKeyQDSVXJQAUWRIPN-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.58
Rot. Bonds2

About 9H-xanthene-4,5-dicarboxamide

9H-xanthene-4,5-dicarboxamide (PubChem CID 162768624) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 9H-xanthene-4,5-dicarboxamide.

Molecular Properties

Compound Name9H-xanthene-4,5-dicarboxamide
PubChem CID162768624
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name9H-xanthene-4,5-dicarboxamide
SMILESNC(=O)c1cccc2c1Oc1c(cccc1C(N)=O)C2
InChIInChI=1S/C15H12N2O3/c16-14(18)10-5-1-3-8-7-9-4-2-6-11(15(17)19)13(9)20-12(8)10/h1-6H,7H2,(H2,16,18)(H2,17,19)
InChIKeyQDSVXJQAUWRIPN-UHFFFAOYSA-N
XLogP1.58
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-xanthene-4,5-dicarboxamide?
The IUPAC name of 9H-xanthene-4,5-dicarboxamide (CID 162768624) is 9H-xanthene-4,5-dicarboxamide.
What is the SMILES notation for 9H-xanthene-4,5-dicarboxamide?
The canonical SMILES for 9H-xanthene-4,5-dicarboxamide is NC(=O)c1cccc2c1Oc1c(cccc1C(N)=O)C2.
What is the InChIKey of 9H-xanthene-4,5-dicarboxamide?
The InChIKey is QDSVXJQAUWRIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c16-14(18)10-5-1-3-8-7-9-4-2-6-11(15(17)19)13(9)20-12(8)10/h1-6H,7H2,(H2,16,18)(H2,17,19).
What are the key properties of 9H-xanthene-4,5-dicarboxamide?
9H-xanthene-4,5-dicarboxamide has a molecular weight of 268.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-xanthene-4,5-dicarboxamide is sourced from PubChem (CID 162768624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).