[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate

C16H15BrFNO5 — CID 8846429

IUPAC[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
SMILESC[C@H](NC(=O)COC(=O)COc1ccc(F)cc1Br)c1ccco1
InChIInChI=1S/C16H15BrFNO5/c1-10(13-3-2-6-22-13)19-15(20)8-24-16(21)9-23-14-5-4-11(18)7-12(14)17/h2-7,10H,8-9H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyUPNMGHMGTGUKRB-JTQLQIEISA-N
MW400.20 g/mol
LogP2.98
Rot. Bonds7

About [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate

[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate (PubChem CID 8846429) has the molecular formula C16H15BrFNO5 and a molecular weight of 400.20 g/mol. Its IUPAC name is [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
PubChem CID8846429
Molecular FormulaC16H15BrFNO5
Molecular Weight400.20 g/mol
Exact Mass399.01
IUPAC Name[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
SMILESC[C@H](NC(=O)COC(=O)COc1ccc(F)cc1Br)c1ccco1
InChIInChI=1S/C16H15BrFNO5/c1-10(13-3-2-6-22-13)19-15(20)8-24-16(21)9-23-14-5-4-11(18)7-12(14)17/h2-7,10H,8-9H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyUPNMGHMGTGUKRB-JTQLQIEISA-N
XLogP2.98
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate with MolForge

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Related Compounds

[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230897
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525806
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 8565719
2-(2-bromo-4-fluorophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 25357467
2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9007049
ethyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 61344943
(2S,3R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964738
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909021
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate
CID 9063759
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 9334139

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate?
The IUPAC name of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate (CID 8846429) is [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate.
What is the SMILES notation for [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate?
The canonical SMILES for [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate is C[C@H](NC(=O)COC(=O)COc1ccc(F)cc1Br)c1ccco1.
What is the InChIKey of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate?
The InChIKey is UPNMGHMGTGUKRB-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15BrFNO5/c1-10(13-3-2-6-22-13)19-15(20)8-24-16(21)9-23-14-5-4-11(18)7-12(14)17/h2-7,10H,8-9H2,1H3,(H,19,20)/t10-/m0/s1.
What are the key properties of [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate?
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate has a molecular weight of 400.20 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate is sourced from PubChem (CID 8846429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).