2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate

C17H15F2NO4 — CID 162063931

IUPAC2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate
SMILESCOC(=O)C(=O)c1ccccc1.NC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H8O3.C8H7F2NO/c1-12-9(11)8(10)7-5-3-2-4-6-7;9-8(10,7(11)12)6-4-2-1-3-5-6/h2-6H,1H3;1-5H,(H2,11,12)
InChIKeyZAEZETGKEKCNSJ-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.31
Rot. Bonds4

About 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate

2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate (PubChem CID 162063931) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate
PubChem CID162063931
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Name2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate
SMILESCOC(=O)C(=O)c1ccccc1.NC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H8O3.C8H7F2NO/c1-12-9(11)8(10)7-5-3-2-4-6-7;9-8(10,7(11)12)6-4-2-1-3-5-6/h2-6H,1H3;1-5H,(H2,11,12)
InChIKeyZAEZETGKEKCNSJ-UHFFFAOYSA-N
XLogP2.31
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
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(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
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methyl 2-oxo-2-(4-phenylsulfanylphenyl)acetate
CID 59163554
methyl 2-(4-benzylphenyl)-2-oxoacetate
CID 112616475
carbamoyl 2-oxo-2-phenylacetate
CID 151490508
2,2-difluoro-2-(4-pyridin-2-ylphenyl)acetamide
CID 144811311
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
ethyl 2-oxo-2-phenylacetate
CID 15349
benzamide;methyl 2-benzoylimino-3,3,3-trifluoropropanoate
CID 161489087
methyl 2-amino-4-oxo-4-phenylbut-2-enoate
CID 85280020

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate?
The IUPAC name of 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate (CID 162063931) is 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate.
What is the SMILES notation for 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate?
The canonical SMILES for 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate is COC(=O)C(=O)c1ccccc1.NC(=O)C(F)(F)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate?
The InChIKey is ZAEZETGKEKCNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.C8H7F2NO/c1-12-9(11)8(10)7-5-3-2-4-6-7;9-8(10,7(11)12)6-4-2-1-3-5-6/h2-6H,1H3;1-5H,(H2,11,12).
What are the key properties of 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate?
2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate has a molecular weight of 335.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenylacetamide;methyl 2-oxo-2-phenylacetate is sourced from PubChem (CID 162063931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).