N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide

C27H17NO6 — CID 19074003

IUPACN-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C27H17NO6/c29-17-7-10-21-23(13-17)33-24-14-18(30)8-11-22(24)27(21)20-9-6-16(12-19(20)26(32)34-27)28-25(31)15-4-2-1-3-5-15/h1-14,29-30H,(H,28,31)
InChIKeySEKYDTRVGNAEDZ-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.92
Rot. Bonds2

About N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide

N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide (PubChem CID 19074003) has the molecular formula C27H17NO6 and a molecular weight of 451.43 g/mol. Its IUPAC name is N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide.

Molecular Properties

Compound NameN-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide
PubChem CID19074003
Molecular FormulaC27H17NO6
Molecular Weight451.43 g/mol
Exact Mass451.11
IUPAC NameN-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C27H17NO6/c29-17-7-10-21-23(13-17)33-24-14-18(30)8-11-22(24)27(21)20-9-6-16(12-19(20)26(32)34-27)28-25(31)15-4-2-1-3-5-15/h1-14,29-30H,(H,28,31)
InChIKeySEKYDTRVGNAEDZ-UHFFFAOYSA-N
XLogP4.92
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide?
The IUPAC name of N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide (CID 19074003) is N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide.
What is the SMILES notation for N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide?
The canonical SMILES for N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide is O=C(Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccccc1.
What is the InChIKey of N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide?
The InChIKey is SEKYDTRVGNAEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO6/c29-17-7-10-21-23(13-17)33-24-14-18(30)8-11-22(24)27(21)20-9-6-16(12-19(20)26(32)34-27)28-25(31)15-4-2-1-3-5-15/h1-14,29-30H,(H,28,31).
What are the key properties of N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide?
N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide has a molecular weight of 451.43 g/mol, XLogP of 4.92, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)benzamide is sourced from PubChem (CID 19074003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).