[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C25H23FN2O6 — CID 35945529

IUPAC[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)COc3ccccc3F)cc2)cc1
InChIInChI=1S/C25H23FN2O6/c1-2-32-20-13-11-19(12-14-20)28-25(31)17-7-9-18(10-8-17)27-23(29)15-34-24(30)16-33-22-6-4-3-5-21(22)26/h3-14H,2,15-16H2,1H3,(H,27,29)(H,28,31)
InChIKeyRNDJSWVLVGIDIT-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.04
Rot. Bonds10

About [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 35945529) has the molecular formula C25H23FN2O6 and a molecular weight of 466.47 g/mol. Its IUPAC name is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID35945529
Molecular FormulaC25H23FN2O6
Molecular Weight466.47 g/mol
Exact Mass466.15
IUPAC Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)COc3ccccc3F)cc2)cc1
InChIInChI=1S/C25H23FN2O6/c1-2-32-20-13-11-19(12-14-20)28-25(31)17-7-9-18(10-8-17)27-23(29)15-34-24(30)16-33-22-6-4-3-5-21(22)26/h3-14H,2,15-16H2,1H3,(H,27,29)(H,28,31)
InChIKeyRNDJSWVLVGIDIT-UHFFFAOYSA-N
XLogP4.04
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140310
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842388
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982131
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782334
[2-(4-fluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133158
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272263
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 35945529) is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)COc3ccccc3F)cc2)cc1.
What is the InChIKey of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is RNDJSWVLVGIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O6/c1-2-32-20-13-11-19(12-14-20)28-25(31)17-7-9-18(10-8-17)27-23(29)15-34-24(30)16-33-22-6-4-3-5-21(22)26/h3-14H,2,15-16H2,1H3,(H,27,29)(H,28,31).
What are the key properties of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 466.47 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 35945529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).