2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide

C16H16N2O3 — CID 43724199

IUPAC2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC2COc3cc(O)ccc32)cc1
InChIInChI=1S/C16H16N2O3/c17-16(20)7-10-1-3-11(4-2-10)18-14-9-21-15-8-12(19)5-6-13(14)15/h1-6,8,14,18-19H,7,9H2,(H2,17,20)
InChIKeyZBNJTHGBENTNSQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide

2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide (PubChem CID 43724199) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide
PubChem CID43724199
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC2COc3cc(O)ccc32)cc1
InChIInChI=1S/C16H16N2O3/c17-16(20)7-10-1-3-11(4-2-10)18-14-9-21-15-8-12(19)5-6-13(14)15/h1-6,8,14,18-19H,7,9H2,(H2,17,20)
InChIKeyZBNJTHGBENTNSQ-UHFFFAOYSA-N
XLogP1.97
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide (CID 43724199) is 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide is NC(=O)Cc1ccc(NC2COc3cc(O)ccc32)cc1.
What is the InChIKey of 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide?
The InChIKey is ZBNJTHGBENTNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-16(20)7-10-1-3-11(4-2-10)18-14-9-21-15-8-12(19)5-6-13(14)15/h1-6,8,14,18-19H,7,9H2,(H2,17,20).
What are the key properties of 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide?
2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 43724199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).