[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate

C14H11BrFNO4 — CID 8837303

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Br)NCc1ccco1
InChIInChI=1S/C14H11BrFNO4/c15-12-6-9(16)3-4-11(12)14(19)21-8-13(18)17-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,17,18)
InChIKeyWVVXNUDPJZEJAJ-UHFFFAOYSA-N
MW356.15 g/mol
LogP2.65
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate (PubChem CID 8837303) has the molecular formula C14H11BrFNO4 and a molecular weight of 356.15 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
PubChem CID8837303
Molecular FormulaC14H11BrFNO4
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Br)NCc1ccco1
InChIInChI=1S/C14H11BrFNO4/c15-12-6-9(16)3-4-11(12)14(19)21-8-13(18)17-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,17,18)
InChIKeyWVVXNUDPJZEJAJ-UHFFFAOYSA-N
XLogP2.65
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837445
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554865
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromo-4-fluorobenzoate
CID 8837401
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837297
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837292
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(2-methoxyethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837378
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate (CID 8837303) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1Br)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate?
The InChIKey is WVVXNUDPJZEJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO4/c15-12-6-9(16)3-4-11(12)14(19)21-8-13(18)17-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,17,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate has a molecular weight of 356.15 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate is sourced from PubChem (CID 8837303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).