2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide

C13H17BrFNO3 — CID 60668712

IUPAC2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO3/c1-18-7-8-19-6-2-5-16-13(17)11-4-3-10(15)9-12(11)14/h3-4,9H,2,5-8H2,1H3,(H,16,17)
InChIKeyWTGFDPIUGRMALC-UHFFFAOYSA-N
MW334.19 g/mol
LogP2.37
Rot. Bonds8

About 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide

2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide (PubChem CID 60668712) has the molecular formula C13H17BrFNO3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
PubChem CID60668712
Molecular FormulaC13H17BrFNO3
Molecular Weight334.19 g/mol
Exact Mass333.04
IUPAC Name2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFNO3/c1-18-7-8-19-6-2-5-16-13(17)11-4-3-10(15)9-12(11)14/h3-4,9H,2,5-8H2,1H3,(H,16,17)
InChIKeyWTGFDPIUGRMALC-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 52.37
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-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-N-(4-bromobutyl)-4-fluorobenzamide
CID 106845591
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
2-bromo-4-fluoro-N-(4,4,4-trifluorobutyl)benzamide
CID 79039788
2-bromo-N-[3-(cyclopropylamino)propyl]-4-fluorobenzamide
CID 43596377
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-methylbenzamide
CID 114171292
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide (CID 60668712) is 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide is COCCOCCCNC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide?
The InChIKey is WTGFDPIUGRMALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO3/c1-18-7-8-19-6-2-5-16-13(17)11-4-3-10(15)9-12(11)14/h3-4,9H,2,5-8H2,1H3,(H,16,17).
What are the key properties of 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide?
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide has a molecular weight of 334.19 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide is sourced from PubChem (CID 60668712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).