3-(chloromethyl)-N-(2-methoxyethoxy)benzamide

C11H14ClNO3 — CID 82715225

IUPAC3-(chloromethyl)-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1cccc(CCl)c1
InChIInChI=1S/C11H14ClNO3/c1-15-5-6-16-13-11(14)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyQXPUCFOQATYNAS-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.73
Rot. Bonds6

About 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide

3-(chloromethyl)-N-(2-methoxyethoxy)benzamide (PubChem CID 82715225) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2-methoxyethoxy)benzamide
PubChem CID82715225
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name3-(chloromethyl)-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1cccc(CCl)c1
InChIInChI=1S/C11H14ClNO3/c1-15-5-6-16-13-11(14)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyQXPUCFOQATYNAS-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(2-methoxyethoxy)benzamide
CID 82722823
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106246225
methyl 3-[[3-(chloromethyl)benzoyl]amino]benzoate
CID 43346811
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
3-(hydroxymethyl)-N-methoxybenzamide
CID 130675925
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
3-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981417
3-(chloromethyl)benzoate chloride
CID 22464899
3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide
CID 114615983
1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
CID 117108260
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide (CID 82715225) is 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide is COCCONC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide?
The InChIKey is QXPUCFOQATYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-15-5-6-16-13-11(14)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8H2,1H3,(H,13,14).
What are the key properties of 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide?
3-(chloromethyl)-N-(2-methoxyethoxy)benzamide has a molecular weight of 243.69 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 82715225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).