[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate

C21H23FN2O4 — CID 17259335

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
SMILESCCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O4/c1-2-15-6-3-4-7-18(15)24-19(25)8-5-9-21(27)28-14-20(26)23-17-12-10-16(22)11-13-17/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyCCIFYDZVFIHEQT-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.68
Rot. Bonds9

About [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate

[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate (PubChem CID 17259335) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
PubChem CID17259335
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
SMILESCCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O4/c1-2-15-6-3-4-7-18(15)24-19(25)8-5-9-21(27)28-14-20(26)23-17-12-10-16(22)11-13-17/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyCCIFYDZVFIHEQT-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067653
[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067527
[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17258700
[2-(4-bromo-2-ethylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 17258770
2-methylpropyl 4-[[4-[2-(2-ethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17087333
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 17261210
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 17261560
[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067637
[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856676
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067520
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067633

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate (CID 17259335) is [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate is CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
The InChIKey is CCIFYDZVFIHEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-2-15-6-3-4-7-18(15)24-19(25)8-5-9-21(27)28-14-20(26)23-17-12-10-16(22)11-13-17/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate has a molecular weight of 386.42 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate is sourced from PubChem (CID 17259335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).