3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide

C14H19ClN2O3 — CID 60949967

IUPAC3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C14H19ClN2O3/c1-17(10-13(18)16-6-7-20-2)14(19)12-5-3-4-11(8-12)9-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyOJVKGVZPVHEVFE-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.26
Rot. Bonds7

About 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide

3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 60949967) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID60949967
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C14H19ClN2O3/c1-17(10-13(18)16-6-7-20-2)14(19)12-5-3-4-11(8-12)9-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyOJVKGVZPVHEVFE-UHFFFAOYSA-N
XLogP1.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.26
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'}

Analyze 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103734742
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763536
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 62499845
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 84589607

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide (CID 60949967) is 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide is COCCNC(=O)CN(C)C(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is OJVKGVZPVHEVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-17(10-13(18)16-6-7-20-2)14(19)12-5-3-4-11(8-12)9-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 298.77 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 60949967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).