N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C17H14ClNO4 — CID 26735813

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C17H14ClNO4/c1-22-14-7-6-10(8-13(14)18)19-16(20)9-15-11-4-2-3-5-12(11)17(21)23-15/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyAPUWGSMLJISOQJ-HNNXBMFYSA-N
MW331.76 g/mol
LogP3.59
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 26735813) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID26735813
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C17H14ClNO4/c1-22-14-7-6-10(8-13(14)18)19-16(20)9-15-11-4-2-3-5-12(11)17(21)23-15/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyAPUWGSMLJISOQJ-HNNXBMFYSA-N
XLogP3.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 95282118
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8006005
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 94835011
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26522157
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26521364
methyl 4-methyl-3-[[2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzoate
CID 40794912
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
2-(3-oxo-1H-2-benzofuran-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 42891278
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113201377
2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 41087886
N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94002797

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 26735813) is N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is COc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is APUWGSMLJISOQJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-22-14-7-6-10(8-13(14)18)19-16(20)9-15-11-4-2-3-5-12(11)17(21)23-15/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 331.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 26735813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).