[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate

C15H19ClFNO5 — CID 2491219

IUPAC[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESCOCCN(CCOC)C(=O)COC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO5/c1-21-7-5-18(6-8-22-2)14(19)10-23-15(20)12-4-3-11(17)9-13(12)16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXAOBOSRFDSPLKD-UHFFFAOYSA-N
MW347.77 g/mol
LogP1.76
Rot. Bonds9

About [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate

[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate (PubChem CID 2491219) has the molecular formula C15H19ClFNO5 and a molecular weight of 347.77 g/mol. Its IUPAC name is [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
PubChem CID2491219
Molecular FormulaC15H19ClFNO5
Molecular Weight347.77 g/mol
Exact Mass347.09
IUPAC Name[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESCOCCN(CCOC)C(=O)COC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO5/c1-21-7-5-18(6-8-22-2)14(19)10-23-15(20)12-4-3-11(17)9-13(12)16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXAOBOSRFDSPLKD-UHFFFAOYSA-N
XLogP1.76
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate (CID 2491219) is [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate is COCCN(CCOC)C(=O)COC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is XAOBOSRFDSPLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO5/c1-21-7-5-18(6-8-22-2)14(19)10-23-15(20)12-4-3-11(17)9-13(12)16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate?
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate has a molecular weight of 347.77 g/mol, XLogP of 1.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 2491219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).