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

C10H11BrFNO2 — CID 24703783

IUPAC2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H11BrFNO2/c1-15-5-4-13-10(14)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyCIROWOODODGGBA-UHFFFAOYSA-N
MW276.11 g/mol
LogP1.96
Rot. Bonds4

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

2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 24703783) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID24703783
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H11BrFNO2/c1-15-5-4-13-10(14)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyCIROWOODODGGBA-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-bromo-4-methoxybutyl)-5-fluorobenzamide
CID 114163364
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907101
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide (CID 24703783) is 2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is CIROWOODODGGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-15-5-4-13-10(14)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide?
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 276.11 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 24703783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).