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

C16H13F2NO3 — CID 8589788

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)Nc1cccc(F)c1
InChIInChI=1S/C16H13F2NO3/c17-12-4-1-3-11(7-12)8-16(21)22-10-15(20)19-14-6-2-5-13(18)9-14/h1-7,9H,8,10H2,(H,19,20)
InChIKeyOREHBBNMFNJUKY-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.69
Rot. Bonds5

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

[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate (PubChem CID 8589788) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
PubChem CID8589788
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)Nc1cccc(F)c1
InChIInChI=1S/C16H13F2NO3/c17-12-4-1-3-11(7-12)8-16(21)22-10-15(20)19-14-6-2-5-13(18)9-14/h1-7,9H,8,10H2,(H,19,20)
InChIKeyOREHBBNMFNJUKY-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
CID 8589912
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589809
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590459
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 71820754
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590501
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759274
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 7856125
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-(4-fluoroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767521
[2-(3-fluoroanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197279
[2-(3-fluoroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515125
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate (CID 8589788) is [2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate is O=C(COC(=O)Cc1cccc(F)c1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The InChIKey is OREHBBNMFNJUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c17-12-4-1-3-11(7-12)8-16(21)22-10-15(20)19-14-6-2-5-13(18)9-14/h1-7,9H,8,10H2,(H,19,20).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate has a molecular weight of 305.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 8589788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).