2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate

C15H13BrFNO5 — CID 7883800

IUPAC2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)o1)OCCOc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO5/c16-13-6-5-12(23-13)15(20)18-9-14(19)22-8-7-21-11-3-1-10(17)2-4-11/h1-6H,7-9H2,(H,18,20)
InChIKeyDQEUTNDMQQNQBE-UHFFFAOYSA-N
MW386.17 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate

2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 7883800) has the molecular formula C15H13BrFNO5 and a molecular weight of 386.17 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID7883800
Molecular FormulaC15H13BrFNO5
Molecular Weight386.17 g/mol
Exact Mass385.00
IUPAC Name2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)o1)OCCOc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO5/c16-13-6-5-12(23-13)15(20)18-9-14(19)22-8-7-21-11-3-1-10(17)2-4-11/h1-6H,7-9H2,(H,18,20)
InChIKeyDQEUTNDMQQNQBE-UHFFFAOYSA-N
XLogP2.53
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.17
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883797
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899383
2-(2-fluorophenyl)sulfanylethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899436
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573758
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609
2-(4-nitrophenoxy)ethyl 5-bromofuran-2-carboxylate
CID 612517
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide
CID 81434793

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 7883800) is 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate is O=C(CNC(=O)c1ccc(Br)o1)OCCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is DQEUTNDMQQNQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO5/c16-13-6-5-12(23-13)15(20)18-9-14(19)22-8-7-21-11-3-1-10(17)2-4-11/h1-6H,7-9H2,(H,18,20).
What are the key properties of 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 386.17 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 7883800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).