4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide

C24H20N2O6 — CID 87894461

IUPAC4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCOc1ccc(C(=O)N(O)c2ccccc2)cc1)c1cc2c(O)cccc2o1
InChIInChI=1S/C24H20N2O6/c27-20-7-4-8-21-19(20)15-22(32-21)23(28)25-13-14-31-18-11-9-16(10-12-18)24(29)26(30)17-5-2-1-3-6-17/h1-12,15,27,30H,13-14H2,(H,25,28)
InChIKeyWJIBZWPPVYMCRU-UHFFFAOYSA-N
MW432.43 g/mol
LogP3.98
Rot. Bonds7

About 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide

4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 87894461) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide
PubChem CID87894461
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCOc1ccc(C(=O)N(O)c2ccccc2)cc1)c1cc2c(O)cccc2o1
InChIInChI=1S/C24H20N2O6/c27-20-7-4-8-21-19(20)15-22(32-21)23(28)25-13-14-31-18-11-9-16(10-12-18)24(29)26(30)17-5-2-1-3-6-17/h1-12,15,27,30H,13-14H2,(H,25,28)
InChIKeyWJIBZWPPVYMCRU-UHFFFAOYSA-N
XLogP3.98
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-4-(triazin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 68736080
N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide
CID 22728939
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 11749858
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;methane
CID 159274996
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
7-bromo-1-oxo-N-(2-phenoxyethyl)isochromene-3-carboxamide
CID 172905653
7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide
CID 87108864
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
5-[2-(dimethylamino)ethoxy]-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 87641545
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-propoxyethyl)-1-benzofuran-2-carboxamide
CID 140557054

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide (CID 87894461) is 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide is O=C(NCCOc1ccc(C(=O)N(O)c2ccccc2)cc1)c1cc2c(O)cccc2o1.
What is the InChIKey of 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is WJIBZWPPVYMCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c27-20-7-4-8-21-19(20)15-22(32-21)23(28)25-13-14-31-18-11-9-16(10-12-18)24(29)26(30)17-5-2-1-3-6-17/h1-12,15,27,30H,13-14H2,(H,25,28).
What are the key properties of 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide?
4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 87894461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).