[2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate

C17H15FN2O4 — CID 2116832

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O4/c1-11(21)19-13-8-6-12(7-9-13)17(23)24-10-16(22)20-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyBRFIMQKXKCDZLH-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.58
Rot. Bonds5

About [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate

[2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 2116832) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate
PubChem CID2116832
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O4/c1-11(21)19-13-8-6-12(7-9-13)17(23)24-10-16(22)20-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyBRFIMQKXKCDZLH-UHFFFAOYSA-N
XLogP2.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate (CID 2116832) is [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is BRFIMQKXKCDZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-11(21)19-13-8-6-12(7-9-13)17(23)24-10-16(22)20-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate?
[2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 330.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 2116832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).