[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate

C14H12ClNO5 — CID 2365239

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1O)NCc1ccco1
InChIInChI=1S/C14H12ClNO5/c15-9-3-4-12(17)11(6-9)14(19)21-8-13(18)16-7-10-2-1-5-20-10/h1-6,17H,7-8H2,(H,16,18)
InChIKeyOEPVMISDQRRARQ-UHFFFAOYSA-N
MW309.70 g/mol
LogP2.11
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate (PubChem CID 2365239) has the molecular formula C14H12ClNO5 and a molecular weight of 309.70 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
PubChem CID2365239
Molecular FormulaC14H12ClNO5
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1O)NCc1ccco1
InChIInChI=1S/C14H12ClNO5/c15-9-3-4-12(17)11(6-9)14(19)21-8-13(18)16-7-10-2-1-5-20-10/h1-6,17H,7-8H2,(H,16,18)
InChIKeyOEPVMISDQRRARQ-UHFFFAOYSA-N
XLogP2.11
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228665
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286441
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-2-hydroxybenzoate
CID 9286346
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773688
[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] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847849

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate (CID 2365239) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate is O=C(COC(=O)c1cc(Cl)ccc1O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is OEPVMISDQRRARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5/c15-9-3-4-12(17)11(6-9)14(19)21-8-13(18)16-7-10-2-1-5-20-10/h1-6,17H,7-8H2,(H,16,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 309.70 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 2365239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).