[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate

C19H16F2N2O4 — CID 7991718

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
SMILESO=C(/C=C/c1ccccc1)NCC(=O)OCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H16F2N2O4/c20-14-7-4-8-15(21)19(14)23-17(25)12-27-18(26)11-22-16(24)10-9-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,24)(H,23,25)/b10-9+
InChIKeyDODRBIZJYQGYBE-MDZDMXLPSA-N
MW374.34 g/mol
LogP2.28
Rot. Bonds7

About [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate

[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate (PubChem CID 7991718) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
PubChem CID7991718
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
SMILESO=C(/C=C/c1ccccc1)NCC(=O)OCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H16F2N2O4/c20-14-7-4-8-15(21)19(14)23-17(25)12-27-18(26)11-22-16(24)10-9-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,24)(H,23,25)/b10-9+
InChIKeyDODRBIZJYQGYBE-MDZDMXLPSA-N
XLogP2.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991851
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 8578301
[2-(3-methoxyanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991685
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991335
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991402
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8567306
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807837
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7186275
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991478
ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetate
CID 6269553
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 7812321

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate (CID 7991718) is [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate is O=C(/C=C/c1ccccc1)NCC(=O)OCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate?
The InChIKey is DODRBIZJYQGYBE-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c20-14-7-4-8-15(21)19(14)23-17(25)12-27-18(26)11-22-16(24)10-9-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,24)(H,23,25)/b10-9+.
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate has a molecular weight of 374.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate is sourced from PubChem (CID 7991718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).