[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C21H23FN2O5 — CID 9140310

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C21H23FN2O5/c1-3-24(4-2)21(27)15-9-11-16(12-10-15)23-19(25)13-29-20(26)14-28-18-8-6-5-7-17(18)22/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyATFHEVNYCKEVMM-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.87
Rot. Bonds9

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

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 9140310) has the molecular formula C21H23FN2O5 and a molecular weight of 402.42 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID9140310
Molecular FormulaC21H23FN2O5
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C21H23FN2O5/c1-3-24(4-2)21(27)15-9-11-16(12-10-15)23-19(25)13-29-20(26)14-28-18-8-6-5-7-17(18)22/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyATFHEVNYCKEVMM-UHFFFAOYSA-N
XLogP2.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 35945529
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579572
N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 46686486
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842388
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609973
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 7797485
diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961515
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 87005359
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791225
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 9140310) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2F)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is ATFHEVNYCKEVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5/c1-3-24(4-2)21(27)15-9-11-16(12-10-15)23-19(25)13-29-20(26)14-28-18-8-6-5-7-17(18)22/h5-12H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 402.42 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 9140310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).