[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate

C22H20FNO5 — CID 30992535

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H20FNO5/c1-24(13-20-6-3-11-27-20)21(25)15-29-22(26)17-4-2-5-19(12-17)28-14-16-7-9-18(23)10-8-16/h2-12H,13-15H2,1H3
InChIKeyINCLOCWNUIREPP-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.81
Rot. Bonds8

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate (PubChem CID 30992535) has the molecular formula C22H20FNO5 and a molecular weight of 397.40 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate
PubChem CID30992535
Molecular FormulaC22H20FNO5
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H20FNO5/c1-24(13-20-6-3-11-27-20)21(25)15-29-22(26)17-4-2-5-19(12-17)28-14-16-7-9-18(23)10-8-16/h2-12H,13-15H2,1H3
InChIKeyINCLOCWNUIREPP-UHFFFAOYSA-N
XLogP3.81
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 55472685
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139034
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404838
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30563009
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 18080610
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 46827614
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 24526169
prop-2-ynyl 3-[(4-fluorophenyl)methoxy]benzoate
CID 91681581
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate (CID 30992535) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate is CN(Cc1ccco1)C(=O)COC(=O)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate?
The InChIKey is INCLOCWNUIREPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5/c1-24(13-20-6-3-11-27-20)21(25)15-29-22(26)17-4-2-5-19(12-17)28-14-16-7-9-18(23)10-8-16/h2-12H,13-15H2,1H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate has a molecular weight of 397.40 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 30992535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).