N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide

C12H15BrFNO2 — CID 114309490

IUPACN-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCOCCBr
InChIInChI=1S/C12H15BrFNO2/c1-9-2-3-10(14)8-11(9)12(16)15-5-7-17-6-4-13/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyMWJDUSCFRJUELY-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide

N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide (PubChem CID 114309490) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
PubChem CID114309490
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCOCCBr
InChIInChI=1S/C12H15BrFNO2/c1-9-2-3-10(14)8-11(9)12(16)15-5-7-17-6-4-13/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyMWJDUSCFRJUELY-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115299614
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 114242810
N-[2-(2-bromoethoxy)ethyl]-3-fluoro-4-methylbenzamide
CID 114309408
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468
N-(3-bromo-4-methoxybutyl)-5-fluoro-2-methylbenzamide
CID 106244956
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide
CID 114309236

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide (CID 114309490) is N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCCOCCBr.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide?
The InChIKey is MWJDUSCFRJUELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-9-2-3-10(14)8-11(9)12(16)15-5-7-17-6-4-13/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide?
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide has a molecular weight of 304.16 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 114309490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).