N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C18H17NO4 — CID 52868718

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(CCO)cc1
InChIInChI=1S/C18H17NO4/c20-10-9-12-5-7-13(8-6-12)19-17(21)11-16-14-3-1-2-4-15(14)18(22)23-16/h1-8,16,20H,9-11H2,(H,19,21)/t16-/m1/s1
InChIKeyMEIQBPSUVKXENI-MRXNPFEDSA-N
MW311.34 g/mol
LogP2.46
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 52868718) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID52868718
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(CCO)cc1
InChIInChI=1S/C18H17NO4/c20-10-9-12-5-7-13(8-6-12)19-17(21)11-16-14-3-1-2-4-15(14)18(22)23-16/h1-8,16,20H,9-11H2,(H,19,21)/t16-/m1/s1
InChIKeyMEIQBPSUVKXENI-MRXNPFEDSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8006005
N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26894768
2-(3-oxo-1H-2-benzofuran-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 42891278
2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 97016881
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 94835011
2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 41297251
N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26735813
N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94002797
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38854413
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 9391956
N-cyclopropyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 4791695
N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 7986718

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 52868718) is N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is MEIQBPSUVKXENI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17NO4/c20-10-9-12-5-7-13(8-6-12)19-17(21)11-16-14-3-1-2-4-15(14)18(22)23-16/h1-8,16,20H,9-11H2,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 52868718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).