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

C14H12FNO4 — CID 2084919

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NCc1ccco1
InChIInChI=1S/C14H12FNO4/c15-12-6-2-1-5-11(12)14(18)20-9-13(17)16-8-10-4-3-7-19-10/h1-7H,8-9H2,(H,16,17)
InChIKeyNTDQXBDOTOKHJQ-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.89
Rot. Bonds5

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

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 2084919) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
PubChem CID2084919
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NCc1ccco1
InChIInChI=1S/C14H12FNO4/c15-12-6-2-1-5-11(12)14(18)20-9-13(17)16-8-10-4-3-7-19-10/h1-7H,8-9H2,(H,16,17)
InChIKeyNTDQXBDOTOKHJQ-UHFFFAOYSA-N
XLogP1.89
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969840
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228665
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554865
[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate
CID 23971743
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2364822

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate (CID 2084919) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is NTDQXBDOTOKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c15-12-6-2-1-5-11(12)14(18)20-9-13(17)16-8-10-4-3-7-19-10/h1-7H,8-9H2,(H,16,17).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 277.25 g/mol, XLogP of 1.89, 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-fluorobenzoate is sourced from PubChem (CID 2084919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).