[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate

C23H20FNO4 — CID 7856125

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cc1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C23H20FNO4/c24-19-10-6-11-20(14-19)25-22(26)15-29-23(27)16-28-21-12-5-4-9-18(21)13-17-7-2-1-3-8-17/h1-12,14H,13,15-16H2,(H,25,26)
InChIKeyMUNODXFVNFCXRV-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.98
Rot. Bonds8

About [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate

[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate (PubChem CID 7856125) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
PubChem CID7856125
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cc1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C23H20FNO4/c24-19-10-6-11-20(14-19)25-22(26)15-29-23(27)16-28-21-12-5-4-9-18(21)13-17-7-2-1-3-8-17/h1-12,14H,13,15-16H2,(H,25,26)
InChIKeyMUNODXFVNFCXRV-UHFFFAOYSA-N
XLogP3.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27225851
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732488
2-(2-benzylphenoxy)-N-[4-(carbamoylamino)phenyl]acetamide
CID 33152514
2-(2-amino-3-hydroxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 114764190
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856156
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856155
N-(2-benzylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31895274
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate (CID 7856125) is [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate is O=C(COC(=O)COc1ccccc1Cc1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The InChIKey is MUNODXFVNFCXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c24-19-10-6-11-20(14-19)25-22(26)15-29-23(27)16-28-21-12-5-4-9-18(21)13-17-7-2-1-3-8-17/h1-12,14H,13,15-16H2,(H,25,26).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate has a molecular weight of 393.41 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate is sourced from PubChem (CID 7856125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).