[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate

C17H15FN2O4 — CID 8611978

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H15FN2O4/c1-11(21)19-14-6-3-7-15(9-14)20-16(22)10-24-17(23)12-4-2-5-13(18)8-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyOKDCEWBPELTUSL-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.58
Rot. Bonds5

About [2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate

[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate (PubChem CID 8611978) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
PubChem CID8611978
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H15FN2O4/c1-11(21)19-14-6-3-7-15(9-14)20-16(22)10-24-17(23)12-4-2-5-13(18)8-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyOKDCEWBPELTUSL-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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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 2427007
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-(3-fluoroanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386670
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate
CID 8611982
[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676574
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(3-fluoroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515125
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate (CID 8611978) is [2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate is CC(=O)Nc1cccc(NC(=O)COC(=O)c2cccc(F)c2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is OKDCEWBPELTUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-11(21)19-14-6-3-7-15(9-14)20-16(22)10-24-17(23)12-4-2-5-13(18)8-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate?
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate 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-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 8611978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).