2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide

C13H15F2NO2 — CID 114264031

IUPAC2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide
SMILESC=CCOC(C)CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H15F2NO2/c1-3-7-18-9(2)8-16-13(17)10-5-4-6-11(14)12(10)15/h3-6,9H,1,7-8H2,2H3,(H,16,17)
InChIKeyNNDYSZZMUKRZRW-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.29
Rot. Bonds6

About 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide

2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide (PubChem CID 114264031) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide
PubChem CID114264031
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide
SMILESC=CCOC(C)CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H15F2NO2/c1-3-7-18-9(2)8-16-13(17)10-5-4-6-11(14)12(10)15/h3-6,9H,1,7-8H2,2H3,(H,16,17)
InChIKeyNNDYSZZMUKRZRW-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide
CID 114264190
2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528227
2,3-difluoro-N-pentylbenzamide
CID 62649821
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CID 119504020

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide (CID 114264031) is 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide is C=CCOC(C)CNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide?
The InChIKey is NNDYSZZMUKRZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-3-7-18-9(2)8-16-13(17)10-5-4-6-11(14)12(10)15/h3-6,9H,1,7-8H2,2H3,(H,16,17).
What are the key properties of 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide?
2,3-difluoro-N-(2-prop-2-enoxypropyl)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 2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide is sourced from PubChem (CID 114264031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).