[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

C19H19F2NO4 — CID 7524402

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H19F2NO4/c1-2-25-17-6-4-3-5-13(17)7-10-19(24)26-12-18(23)22-16-11-14(20)8-9-15(16)21/h3-6,8-9,11H,2,7,10,12H2,1H3,(H,22,23)
InChIKeyKUQCWRCVYFFKQM-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.48
Rot. Bonds8

About [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 7524402) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
PubChem CID7524402
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H19F2NO4/c1-2-25-17-6-4-3-5-13(17)7-10-19(24)26-12-18(23)22-16-11-14(20)8-9-15(16)21/h3-6,8-9,11H,2,7,10,12H2,1H3,(H,22,23)
InChIKeyKUQCWRCVYFFKQM-UHFFFAOYSA-N
XLogP3.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524394
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524036
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823024
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524265
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273684
[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7523992
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133057
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
N-(3-acetamido-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32943090
N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32990930
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (CID 7524402) is [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is KUQCWRCVYFFKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-2-25-17-6-4-3-5-13(17)7-10-19(24)26-12-18(23)22-16-11-14(20)8-9-15(16)21/h3-6,8-9,11H,2,7,10,12H2,1H3,(H,22,23).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 363.36 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 7524402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).