2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C13H15F2NO2 — CID 115699987

IUPAC2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO2/c1-9(2)8-18-6-5-16-13(17)11-7-10(14)3-4-12(11)15/h3-4,7H,1,5-6,8H2,2H3,(H,16,17)
InChIKeyVRIFLVULFPGWFG-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.29
Rot. Bonds6

About 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 115699987) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID115699987
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO2/c1-9(2)8-18-6-5-16-13(17)11-7-10(14)3-4-12(11)15/h3-4,7H,1,5-6,8H2,2H3,(H,16,17)
InChIKeyVRIFLVULFPGWFG-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-5-nitrobenzamide
CID 115700390
3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 107121499
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
CID 114309490
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
5-bromo-2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 113258386
2,5-difluoro-N-undecylbenzamide
CID 91717430
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 115699987) is 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is VRIFLVULFPGWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-9(2)8-18-6-5-16-13(17)11-7-10(14)3-4-12(11)15/h3-4,7H,1,5-6,8H2,2H3,(H,16,17).
What are the key properties of 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 255.26 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 115699987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).