4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide

C13H14BrFN2O2 — CID 63237307

IUPAC4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCC#N)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14BrFN2O2/c1-19-8-7-17(6-2-5-16)13(18)10-3-4-11(14)12(15)9-10/h3-4,9H,2,6-8H2,1H3
InChIKeyIORCXXOZEKVEPK-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.59
Rot. Bonds6

About 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide

4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 63237307) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID63237307
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCC#N)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H14BrFN2O2/c1-19-8-7-17(6-2-5-16)13(18)10-3-4-11(14)12(15)9-10/h3-4,9H,2,6-8H2,1H3
InChIKeyIORCXXOZEKVEPK-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

3-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 71869269
5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 63237207
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 71980637
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)-4-nitrobenzamide
CID 103725271
N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide
CID 63286734
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168
4-chloro-N-(2-cyanoethyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 82772600
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide (CID 63237307) is 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide is COCCN(CCC#N)C(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is IORCXXOZEKVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-19-8-7-17(6-2-5-16)13(18)10-3-4-11(14)12(15)9-10/h3-4,9H,2,6-8H2,1H3.
What are the key properties of 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide?
4-bromo-N-(2-cyanoethyl)-3-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 4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 63237307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).