[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate

C16H20F2N2O4 — CID 42939174

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate
SMILESCC(NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H20F2N2O4/c1-9(19-15(23)16(2,3)4)14(22)24-8-13(21)20-12-7-10(17)5-6-11(12)18/h5-7,9H,8H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyOWIJMRWKAXIMGN-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.00
Rot. Bonds5

About [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate (PubChem CID 42939174) has the molecular formula C16H20F2N2O4 and a molecular weight of 342.34 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate
PubChem CID42939174
Molecular FormulaC16H20F2N2O4
Molecular Weight342.34 g/mol
Exact Mass342.14
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate
SMILESCC(NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H20F2N2O4/c1-9(19-15(23)16(2,3)4)14(22)24-8-13(21)20-12-7-10(17)5-6-11(12)18/h5-7,9H,8H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyOWIJMRWKAXIMGN-UHFFFAOYSA-N
XLogP2.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570685
[2-(2,4-difluoroanilino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882131
methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate
CID 42939175
methyl 3-[[2-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]oxyacetyl]amino]-4-methylbenzoate
CID 33240444
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596801
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8537940
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8947128
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 2362655
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484499
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939047
[2-(2,5-difluoroanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673283
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7572264

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate (CID 42939174) is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate is CC(NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate?
The InChIKey is OWIJMRWKAXIMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O4/c1-9(19-15(23)16(2,3)4)14(22)24-8-13(21)20-12-7-10(17)5-6-11(12)18/h5-7,9H,8H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate has a molecular weight of 342.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate is sourced from PubChem (CID 42939174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).