ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate

C14H17FN2O4 — CID 4261484

IUPACethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C14H17FN2O4/c1-2-21-14(20)8-7-12(18)16-9-13(19)17-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyQDCVTJUXJWIGDU-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.22
Rot. Bonds7

About ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate

ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate (PubChem CID 4261484) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate
PubChem CID4261484
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Nameethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C14H17FN2O4/c1-2-21-14(20)8-7-12(18)16-9-13(19)17-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyQDCVTJUXJWIGDU-UHFFFAOYSA-N
XLogP1.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
N-[2-(2-fluoroanilino)-2-oxoethyl]nonanamide
CID 42765956
ethyl 3-(2-fluoroanilino)-3-oxopropanoate;2-fluoroaniline
CID 158628580
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
ethyl 4-[2-[(2-fluorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108570798
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
ethyl 4-(5-bromo-2-fluoroanilino)-4-oxobutanoate
CID 63938681
N-(2-fluorophenyl)butanamide
CID 849021
2-[(2-ethoxy-2-methylpropyl)amino]-N-(2-fluorophenyl)acetamide
CID 114941900
ethyl 3-(2,3-difluoroanilino)-3-oxopropanoate
CID 110474181

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate (CID 4261484) is ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCC(=O)Nc1ccccc1F.
What is the InChIKey of ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate?
The InChIKey is QDCVTJUXJWIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-2-21-14(20)8-7-12(18)16-9-13(19)17-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate?
ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate has a molecular weight of 296.30 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 4261484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).