N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide

C17H16N2O3 — CID 170562056

IUPACN-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CC1OC(=O)c2cc(N)ccc21
InChIInChI=1S/C17H16N2O3/c1-10(20)19-15-5-3-2-4-11(15)8-16-13-7-6-12(18)9-14(13)17(21)22-16/h2-7,9,16H,8,18H2,1H3,(H,19,20)
InChIKeySKOJOKBLVNDYCB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.68
Rot. Bonds3

About N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide

N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide (PubChem CID 170562056) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide
PubChem CID170562056
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CC1OC(=O)c2cc(N)ccc21
InChIInChI=1S/C17H16N2O3/c1-10(20)19-15-5-3-2-4-11(15)8-16-13-7-6-12(18)9-14(13)17(21)22-16/h2-7,9,16H,8,18H2,1H3,(H,19,20)
InChIKeySKOJOKBLVNDYCB-UHFFFAOYSA-N
XLogP2.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide (CID 170562056) is N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CC1OC(=O)c2cc(N)ccc21.
What is the InChIKey of N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide?
The InChIKey is SKOJOKBLVNDYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10(20)19-15-5-3-2-4-11(15)8-16-13-7-6-12(18)9-14(13)17(21)22-16/h2-7,9,16H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide?
N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-3-oxo-1H-2-benzofuran-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 170562056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).