[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

C16H14F2N2O5 — CID 7909175

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccco1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O5/c17-11-4-3-10(8-12(11)18)20-14(21)9-25-15(22)5-6-19-16(23)13-2-1-7-24-13/h1-4,7-8H,5-6,9H2,(H,19,23)(H,20,21)
InChIKeyGVRQIKTXRNOPJL-UHFFFAOYSA-N
MW352.29 g/mol
LogP1.86
Rot. Bonds7

About [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 7909175) has the molecular formula C16H14F2N2O5 and a molecular weight of 352.29 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
PubChem CID7909175
Molecular FormulaC16H14F2N2O5
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccco1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O5/c17-11-4-3-10(8-12(11)18)20-14(21)9-25-15(22)5-6-19-16(23)13-2-1-7-24-13/h1-4,7-8H,5-6,9H2,(H,19,23)(H,20,21)
InChIKeyGVRQIKTXRNOPJL-UHFFFAOYSA-N
XLogP1.86
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7908965
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 39968538
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909258
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 2427987
[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8871080
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909146
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909262
methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate
CID 7909212
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 31403994
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2583455

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (CID 7909175) is [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is O=C(COC(=O)CCNC(=O)c1ccco1)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is GVRQIKTXRNOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O5/c17-11-4-3-10(8-12(11)18)20-14(21)9-25-15(22)5-6-19-16(23)13-2-1-7-24-13/h1-4,7-8H,5-6,9H2,(H,19,23)(H,20,21).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 352.29 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 7909175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).