2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide

C12H15BrFNO2 — CID 24703752

IUPAC2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
SMILESCCOCCCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNO2/c1-2-17-7-3-6-15-12(16)10-8-9(14)4-5-11(10)13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyVNIOKBGBNBTOFM-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.74
Rot. Bonds6

About 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide

2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide (PubChem CID 24703752) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
PubChem CID24703752
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
SMILESCCOCCCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNO2/c1-2-17-7-3-6-15-12(16)10-8-9(14)4-5-11(10)13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyVNIOKBGBNBTOFM-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.74
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-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816584
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816580
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide
CID 32886231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide (CID 24703752) is 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide is CCOCCCNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide?
The InChIKey is VNIOKBGBNBTOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-2-17-7-3-6-15-12(16)10-8-9(14)4-5-11(10)13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide?
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide has a molecular weight of 304.16 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide is sourced from PubChem (CID 24703752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).