[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

C22H19F2NO5 — CID 46789677

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C22H19F2NO5/c1-25(12-15-2-4-16(23)5-3-15)21(26)14-29-22(27)20-11-10-19(30-20)13-28-18-8-6-17(24)7-9-18/h2-11H,12-14H2,1H3
InChIKeyZKIOPUCGZSFLPK-UHFFFAOYSA-N
MW415.39 g/mol
LogP3.95
Rot. Bonds8

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (PubChem CID 46789677) has the molecular formula C22H19F2NO5 and a molecular weight of 415.39 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
PubChem CID46789677
Molecular FormulaC22H19F2NO5
Molecular Weight415.39 g/mol
Exact Mass415.12
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C22H19F2NO5/c1-25(12-15-2-4-16(23)5-3-15)21(26)14-29-22(27)20-11-10-19(30-20)13-28-18-8-6-17(24)7-9-18/h2-11H,12-14H2,1H3
InChIKeyZKIOPUCGZSFLPK-UHFFFAOYSA-N
XLogP3.95
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 16535913
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31958823
5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789661
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46814083
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
(5-methyl-1,2-oxazol-3-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 28572250
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119652390

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (CID 46789677) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is ZKIOPUCGZSFLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO5/c1-25(12-15-2-4-16(23)5-3-15)21(26)14-29-22(27)20-11-10-19(30-20)13-28-18-8-6-17(24)7-9-18/h2-11H,12-14H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 415.39 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 46789677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).