4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide

C13H16BrFN2O3 — CID 51328809

IUPAC4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3/c1-17(8-12(18)16-5-6-20-2)13(19)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyOVTJQCOEKQOVNJ-UHFFFAOYSA-N
MW347.18 g/mol
LogP1.42
Rot. Bonds6

About 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide

4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 51328809) has the molecular formula C13H16BrFN2O3 and a molecular weight of 347.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID51328809
Molecular FormulaC13H16BrFN2O3
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC Name4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3/c1-17(8-12(18)16-5-6-20-2)13(19)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyOVTJQCOEKQOVNJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 51.42
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

4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 60956172
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 106853533
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 107872407
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
4-bromo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-sulfanylbenzamide
CID 107024860
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 113219434
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
4-bromo-2-fluoro-N-(methoxymethyl)benzamide
CID 71433414
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 82829175
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide (CID 51328809) is 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide is COCCNC(=O)CN(C)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is OVTJQCOEKQOVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3/c1-17(8-12(18)16-5-6-20-2)13(19)10-4-3-9(14)7-11(10)15/h3-4,7H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 347.18 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 51328809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).