2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide

C16H18ClNO4 — CID 131938136

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)Cc1coc2cc(C)c(Cl)cc12
InChIInChI=1S/C16H18ClNO4/c1-9-3-14-11(5-12(9)17)10(6-22-14)4-16(19)18-13-7-21-8-15(13)20-2/h3,5-6,13,15H,4,7-8H2,1-2H3,(H,18,19)/t13-,15-/m0/s1
InChIKeySOSMJSHVZZEQEH-ZFWWWQNUSA-N
MW323.78 g/mol
LogP2.47
Rot. Bonds4

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide (PubChem CID 131938136) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
PubChem CID131938136
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)Cc1coc2cc(C)c(Cl)cc12
InChIInChI=1S/C16H18ClNO4/c1-9-3-14-11(5-12(9)17)10(6-22-14)4-16(19)18-13-7-21-8-15(13)20-2/h3,5-6,13,15H,4,7-8H2,1-2H3,(H,18,19)/t13-,15-/m0/s1
InChIKeySOSMJSHVZZEQEH-ZFWWWQNUSA-N
XLogP2.47
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 7393915
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
(2S,4R)-4-[[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]amino]-N,1-dimethylpyrrolidine-2-carboxamide
CID 72869787
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18871958
N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 18872055
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[2-(triazol-1-yl)ethyl]acetamide
CID 122571090
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 154907525
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386294

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide (CID 131938136) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide is CO[C@H]1COC[C@@H]1NC(=O)Cc1coc2cc(C)c(Cl)cc12.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide?
The InChIKey is SOSMJSHVZZEQEH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-9-3-14-11(5-12(9)17)10(6-22-14)4-16(19)18-13-7-21-8-15(13)20-2/h3,5-6,13,15H,4,7-8H2,1-2H3,(H,18,19)/t13-,15-/m0/s1.
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide has a molecular weight of 323.78 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide is sourced from PubChem (CID 131938136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).