[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate

C20H19FN2O5 — CID 9067520

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN2O5/c1-13(24)14-2-6-16(7-3-14)23-19(26)12-28-20(27)11-10-18(25)22-17-8-4-15(21)5-9-17/h2-9H,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyHWYZONYYDSZZBN-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.93
Rot. Bonds8

About [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate

[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate (PubChem CID 9067520) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
PubChem CID9067520
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN2O5/c1-13(24)14-2-6-16(7-3-14)23-19(26)12-28-20(27)11-10-18(25)22-17-8-4-15(21)5-9-17/h2-9H,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyHWYZONYYDSZZBN-UHFFFAOYSA-N
XLogP2.93
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
methyl 4-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 7764445
[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067527
prop-2-ynyl 4-(4-acetylanilino)-4-oxobutanoate
CID 56696055
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
CID 17258736
[2-(4-fluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133158
methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
CID 8551955
butyl 4-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 4219345
[2-(4-bromo-2-ethylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 17258770
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8506747
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate (CID 9067520) is [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate is CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate?
The InChIKey is HWYZONYYDSZZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5/c1-13(24)14-2-6-16(7-3-14)23-19(26)12-28-20(27)11-10-18(25)22-17-8-4-15(21)5-9-17/h2-9H,10-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate?
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate has a molecular weight of 386.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate is sourced from PubChem (CID 9067520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).