[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

C23H20FNO5 — CID 27058522

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C23H20FNO5/c1-15(26)17-6-3-5-9-20(17)25-22(27)14-29-23(28)13-11-16-10-12-21(30-16)18-7-2-4-8-19(18)24/h2-10,12H,11,13-14H2,1H3,(H,25,27)
InChIKeyFYVKIAXFDCLZMK-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.40
Rot. Bonds8

About [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (PubChem CID 27058522) has the molecular formula C23H20FNO5 and a molecular weight of 409.41 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
PubChem CID27058522
Molecular FormulaC23H20FNO5
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C23H20FNO5/c1-15(26)17-6-3-5-9-20(17)25-22(27)14-29-23(28)13-11-16-10-12-21(30-16)18-7-2-4-8-19(18)24/h2-10,12H,11,13-14H2,1H3,(H,25,27)
InChIKeyFYVKIAXFDCLZMK-UHFFFAOYSA-N
XLogP4.40
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 55441437
[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552631
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 55463063
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
CID 27801052
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841781
[2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
CID 2420330
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 33080315
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 42920806
[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605985
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (CID 27058522) is [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is CC(=O)c1ccccc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The InChIKey is FYVKIAXFDCLZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO5/c1-15(26)17-6-3-5-9-20(17)25-22(27)14-29-23(28)13-11-16-10-12-21(30-16)18-7-2-4-8-19(18)24/h2-10,12H,11,13-14H2,1H3,(H,25,27).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate has a molecular weight of 409.41 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is sourced from PubChem (CID 27058522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).