acetamide;2-(3-methoxyphenyl)acetyl chloride

C11H14ClNO3 — CID 158389550

IUPACacetamide;2-(3-methoxyphenyl)acetyl chloride
SMILESCC(N)=O.COc1cccc(CC(=O)Cl)c1
InChIInChI=1S/C9H9ClO2.C2H5NO/c1-12-8-4-2-3-7(5-8)6-9(10)11;1-2(3)4/h2-5H,6H2,1H3;1H3,(H2,3,4)
InChIKeyGWUABSAWYCZNSK-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.49
Rot. Bonds3

About acetamide;2-(3-methoxyphenyl)acetyl chloride

acetamide;2-(3-methoxyphenyl)acetyl chloride (PubChem CID 158389550) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is acetamide;2-(3-methoxyphenyl)acetyl chloride.

Molecular Properties

Compound Nameacetamide;2-(3-methoxyphenyl)acetyl chloride
PubChem CID158389550
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Nameacetamide;2-(3-methoxyphenyl)acetyl chloride
SMILESCC(N)=O.COc1cccc(CC(=O)Cl)c1
InChIInChI=1S/C9H9ClO2.C2H5NO/c1-12-8-4-2-3-7(5-8)6-9(10)11;1-2(3)4/h2-5H,6H2,1H3;1H3,(H2,3,4)
InChIKeyGWUABSAWYCZNSK-UHFFFAOYSA-N
XLogP1.49
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
3-hydroxy-1-(3-methoxyphenyl)-4-methylpentan-2-one
CID 103455228
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
N-(2-amino-6-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62085333
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600

Frequently Asked Questions

What is the IUPAC name of acetamide;2-(3-methoxyphenyl)acetyl chloride?
The IUPAC name of acetamide;2-(3-methoxyphenyl)acetyl chloride (CID 158389550) is acetamide;2-(3-methoxyphenyl)acetyl chloride.
What is the SMILES notation for acetamide;2-(3-methoxyphenyl)acetyl chloride?
The canonical SMILES for acetamide;2-(3-methoxyphenyl)acetyl chloride is CC(N)=O.COc1cccc(CC(=O)Cl)c1.
What is the InChIKey of acetamide;2-(3-methoxyphenyl)acetyl chloride?
The InChIKey is GWUABSAWYCZNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2.C2H5NO/c1-12-8-4-2-3-7(5-8)6-9(10)11;1-2(3)4/h2-5H,6H2,1H3;1H3,(H2,3,4).
What are the key properties of acetamide;2-(3-methoxyphenyl)acetyl chloride?
acetamide;2-(3-methoxyphenyl)acetyl chloride has a molecular weight of 243.69 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-(3-methoxyphenyl)acetyl chloride is sourced from PubChem (CID 158389550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).