2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide

C14H19ClN2O3 — CID 84589607

IUPAC2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cccc(C)c1Cl
InChIInChI=1S/C14H19ClN2O3/c1-10-5-4-6-11(13(10)15)14(19)17(2)9-12(18)16-7-8-20-3/h4-6H,7-9H2,1-3H3,(H,16,18)
InChIKeyKTVUXSVCXHPMEF-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.48
Rot. Bonds6

About 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide

2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide (PubChem CID 84589607) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
PubChem CID84589607
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cccc(C)c1Cl
InChIInChI=1S/C14H19ClN2O3/c1-10-5-4-6-11(13(10)15)14(19)17(2)9-12(18)16-7-8-20-3/h4-6H,7-9H2,1-3H3,(H,16,18)
InChIKeyKTVUXSVCXHPMEF-UHFFFAOYSA-N
XLogP1.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 82829175
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 61051517
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669
4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 106853533
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103734742
4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328809
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 107872407

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide?
The IUPAC name of 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide (CID 84589607) is 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide is COCCNC(=O)CN(C)C(=O)c1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide?
The InChIKey is KTVUXSVCXHPMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-10-5-4-6-11(13(10)15)14(19)17(2)9-12(18)16-7-8-20-3/h4-6H,7-9H2,1-3H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide?
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide has a molecular weight of 298.77 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 84589607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).