N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide

C23H13NO4 — CID 2892917

IUPACN-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide
SMILESO=C1c2ccccc2C(=O)c2cc(NC(=O)c3coc4ccccc34)ccc21
InChIInChI=1S/C23H13NO4/c25-21-15-6-1-2-7-16(15)22(26)18-11-13(9-10-17(18)21)24-23(27)19-12-28-20-8-4-3-5-14(19)20/h1-12H,(H,24,27)
InChIKeyGEUNTHYDKDNFDT-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.46
Rot. Bonds2

About N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide

N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide (PubChem CID 2892917) has the molecular formula C23H13NO4 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide
PubChem CID2892917
Molecular FormulaC23H13NO4
Molecular Weight367.36 g/mol
Exact Mass367.08
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide
SMILESO=C1c2ccccc2C(=O)c2cc(NC(=O)c3coc4ccccc34)ccc21
InChIInChI=1S/C23H13NO4/c25-21-15-6-1-2-7-16(15)22(26)18-11-13(9-10-17(18)21)24-23(27)19-12-28-20-8-4-3-5-14(19)20/h1-12H,(H,24,27)
InChIKeyGEUNTHYDKDNFDT-UHFFFAOYSA-N
XLogP4.46
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-4-yl-1-benzofuran-3-carboxamide
CID 6492144
N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114310991
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
CID 155566561
5-(1-benzofuran-3-carbonylamino)pyridine-2-carboxamide
CID 75390658
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
CID 7533072
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide
CID 10783699
N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide
CID 23941378
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide (CID 2892917) is N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide is O=C1c2ccccc2C(=O)c2cc(NC(=O)c3coc4ccccc34)ccc21.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide?
The InChIKey is GEUNTHYDKDNFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NO4/c25-21-15-6-1-2-7-16(15)22(26)18-11-13(9-10-17(18)21)24-23(27)19-12-28-20-8-4-3-5-14(19)20/h1-12H,(H,24,27).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide?
N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 2892917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).