[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

C23H18FNO5 — CID 8612861

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)Cc1ccc(F)cc1)oc1ccccc12
InChIInChI=1S/C23H18FNO5/c1-28-21-11-17-16-4-2-3-5-19(16)30-20(17)12-18(21)25-22(26)13-29-23(27)10-14-6-8-15(24)9-7-14/h2-9,11-12H,10,13H2,1H3,(H,25,26)
InChIKeyYUCCGHLRNZPOES-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.46
Rot. Bonds6

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 8612861) has the molecular formula C23H18FNO5 and a molecular weight of 407.40 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID8612861
Molecular FormulaC23H18FNO5
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)Cc1ccc(F)cc1)oc1ccccc12
InChIInChI=1S/C23H18FNO5/c1-28-21-11-17-16-4-2-3-5-19(16)30-20(17)12-18(21)25-22(26)13-29-23(27)10-14-6-8-15(24)9-7-14/h2-9,11-12H,10,13H2,1H3,(H,25,26)
InChIKeyYUCCGHLRNZPOES-UHFFFAOYSA-N
XLogP4.46
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
CID 7695279
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 46791532
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 27067841
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613255
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 16525047
2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium
CID 2402947
(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2402948
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916632
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833842

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 8612861) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate is COc1cc2c(cc1NC(=O)COC(=O)Cc1ccc(F)cc1)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is YUCCGHLRNZPOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO5/c1-28-21-11-17-16-4-2-3-5-19(16)30-20(17)12-18(21)25-22(26)13-29-23(27)10-14-6-8-15(24)9-7-14/h2-9,11-12H,10,13H2,1H3,(H,25,26).
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 407.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 8612861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).