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

C14H11ClFNO4 — CID 2338028

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)NCc1ccco1
InChIInChI=1S/C14H11ClFNO4/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)
InChIKeyAYCKEFIBSYJJIU-UHFFFAOYSA-N
MW311.70 g/mol
LogP2.55
Rot. Bonds5

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

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (PubChem CID 2338028) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
PubChem CID2338028
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)NCc1ccco1
InChIInChI=1S/C14H11ClFNO4/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)
InChIKeyAYCKEFIBSYJJIU-UHFFFAOYSA-N
XLogP2.55
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (CID 2338028) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1Cl)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is AYCKEFIBSYJJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/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-chloro-4-fluorobenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate has a molecular weight of 311.70 g/mol, XLogP of 2.55, 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-chloro-4-fluorobenzoate is sourced from PubChem (CID 2338028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).