methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

C13H10F5NO4 — CID 569393

IUPACmethyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccccc1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F5NO4/c1-23-9(20)7-19(10(21)8-5-3-2-4-6-8)11(22)12(14,15)13(16,17)18/h2-6H,7H2,1H3
InChIKeyPPYCZFPFMJSCCV-UHFFFAOYSA-N
MW339.22 g/mol
LogP2.03
Rot. Bonds4

About methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate

methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (PubChem CID 569393) has the molecular formula C13H10F5NO4 and a molecular weight of 339.22 g/mol. Its IUPAC name is methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
PubChem CID569393
Molecular FormulaC13H10F5NO4
Molecular Weight339.22 g/mol
Exact Mass339.05
IUPAC Namemethyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccccc1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F5NO4/c1-23-9(20)7-19(10(21)8-5-3-2-4-6-8)11(22)12(14,15)13(16,17)18/h2-6H,7H2,1H3
InChIKeyPPYCZFPFMJSCCV-UHFFFAOYSA-N
XLogP2.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 161381447
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
CID 172801156
CID 172801156
dimethyl 2-[benzoyl-(2-methoxy-2-oxoethyl)amino]pentanedioate
CID 175101710
N-acetyl-N-(2,2-dimethylpropyl)benzamide
CID 142599008
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91710847
N-benzyl-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 91699922
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
methyl 3-benzoylbut-3-enoate
CID 10845850
N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide
CID 151467935

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The IUPAC name of methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate (CID 569393) is methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is COC(=O)CN(C(=O)c1ccccc1)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
The InChIKey is PPYCZFPFMJSCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5NO4/c1-23-9(20)7-19(10(21)8-5-3-2-4-6-8)11(22)12(14,15)13(16,17)18/h2-6H,7H2,1H3.
What are the key properties of methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate?
methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate has a molecular weight of 339.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate is sourced from PubChem (CID 569393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).