3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide

C11H13BrFNO2 — CID 103706992

IUPAC3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-14(5-6-16-2)11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyLLPZRQOGSWKGEN-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.31
Rot. Bonds4

About 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide

3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide (PubChem CID 103706992) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
PubChem CID103706992
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-14(5-6-16-2)11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyLLPZRQOGSWKGEN-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide (CID 103706992) is 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide is COCCN(C)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide?
The InChIKey is LLPZRQOGSWKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-14(5-6-16-2)11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide?
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide has a molecular weight of 290.13 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 103706992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).