N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C16H13NO4 — CID 2815417

IUPACN-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC(=O)c1ccccc1O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H13NO4/c18-13-4-2-1-3-12(13)16(20)17-15(19)11-5-6-14-10(9-11)7-8-21-14/h1-6,9,18H,7-8H2,(H,17,19,20)
InChIKeyUJHGHNWTOKTBFN-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.90
Rot. Bonds2

About N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 2815417) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID2815417
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC NameN-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC(=O)c1ccccc1O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H13NO4/c18-13-4-2-1-3-12(13)16(20)17-15(19)11-5-6-14-10(9-11)7-8-21-14/h1-6,9,18H,7-8H2,(H,17,19,20)
InChIKeyUJHGHNWTOKTBFN-UHFFFAOYSA-N
XLogP1.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 2815417) is N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NC(=O)c1ccccc1O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is UJHGHNWTOKTBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-13-4-2-1-3-12(13)16(20)17-15(19)11-5-6-14-10(9-11)7-8-21-14/h1-6,9,18H,7-8H2,(H,17,19,20).
What are the key properties of N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybenzoyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 2815417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).