N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide

C15H18ClNO2 — CID 7393915

IUPACN-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1coc2cc(C)c(Cl)cc12
InChIInChI=1S/C15H18ClNO2/c1-4-10(3)17-15(18)6-11-8-19-14-5-9(2)13(16)7-12(11)14/h5,7-8,10H,4,6H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyXJCOUNHDJCXLEM-SNVBAGLBSA-N
MW279.77 g/mol
LogP3.85
Rot. Bonds4

About N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide

N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 7393915) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID7393915
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1coc2cc(C)c(Cl)cc12
InChIInChI=1S/C15H18ClNO2/c1-4-10(3)17-15(18)6-11-8-19-14-5-9(2)13(16)7-12(11)14/h5,7-8,10H,4,6H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyXJCOUNHDJCXLEM-SNVBAGLBSA-N
XLogP3.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide
CID 42897715
N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7930956
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-(3-morpholin-4-ylpropyl)acetamide
CID 18871958
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
CID 131938136
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone
CID 137339572
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 42899513

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide (CID 7393915) is N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide is CC[C@@H](C)NC(=O)Cc1coc2cc(C)c(Cl)cc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is XJCOUNHDJCXLEM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-4-10(3)17-15(18)6-11-8-19-14-5-9(2)13(16)7-12(11)14/h5,7-8,10H,4,6H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 279.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 7393915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).