3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide

C11H12ClNO3 — CID 166792418

IUPAC3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)CCl)c1OC
InChIInChI=1S/C11H12ClNO3/c1-13-11(15)8-5-3-4-7(9(14)6-12)10(8)16-2/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyAASWMSNQUZLDFO-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.48
Rot. Bonds4

About 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide

3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide (PubChem CID 166792418) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide
PubChem CID166792418
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)CCl)c1OC
InChIInChI=1S/C11H12ClNO3/c1-13-11(15)8-5-3-4-7(9(14)6-12)10(8)16-2/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyAASWMSNQUZLDFO-UHFFFAOYSA-N
XLogP1.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-methyl-3-methylsulfanylbenzamide
CID 69493076
ethane;2-methoxy-N-methyl-3-nitrobenzamide
CID 143076658
tris[2-chloro-6-(2-chloroacetyl)phenyl] phosphate
CID 141057228
3-(3-chloro-2-methoxyphenyl)-3-oxopropanoic acid
CID 19869661
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
CID 106274696
ethyl 2-amino-3-(2-chloroacetyl)benzoate
CID 175008428
7-bromo-N-methylnaphthalene-1-carboxamide
CID 178046455
3-(methoxymethyl)-N,2-dimethylbenzamide
CID 143102947
3-[(3,4-dichlorophenyl)methylcarbamoyl]-2-methoxybenzoic acid
CID 70676769

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide (CID 166792418) is 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide is CNC(=O)c1cccc(C(=O)CCl)c1OC.
What is the InChIKey of 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide?
The InChIKey is AASWMSNQUZLDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-13-11(15)8-5-3-4-7(9(14)6-12)10(8)16-2/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide?
3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide has a molecular weight of 241.67 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 166792418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).