5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide

C13H14BrFN2O2 — CID 63237207

IUPAC5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCC#N)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H14BrFN2O2/c1-19-8-7-17(6-2-5-16)13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,2,6-8H2,1H3
InChIKeyXPENRHNCBBLSLI-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.59
Rot. Bonds6

About 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide

5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 63237207) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID63237207
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCC#N)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H14BrFN2O2/c1-19-8-7-17(6-2-5-16)13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,2,6-8H2,1H3
InChIKeyXPENRHNCBBLSLI-UHFFFAOYSA-N
XLogP2.59
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzamide
CID 60955236
3-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 71869269
4-chloro-N-(2-cyanoethyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 82772600
4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 63237307
5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 63289968
4-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 63237164
N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 71980637
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-sulfanylbenzamide
CID 107029635
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105386249
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide (CID 63237207) is 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide is COCCN(CCC#N)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is XPENRHNCBBLSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-19-8-7-17(6-2-5-16)13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,2,6-8H2,1H3.
What are the key properties of 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide?
5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 329.17 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 63237207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).