[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate

C17H14FNO4 — CID 2427007

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H14FNO4/c1-11(20)12-5-7-15(8-6-12)19-16(21)10-23-17(22)13-3-2-4-14(18)9-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyAFENJMCNJNVACT-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.82
Rot. Bonds5

About [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate

[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate (PubChem CID 2427007) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate
PubChem CID2427007
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H14FNO4/c1-11(20)12-5-7-15(8-6-12)19-16(21)10-23-17(22)13-3-2-4-14(18)9-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyAFENJMCNJNVACT-UHFFFAOYSA-N
XLogP2.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
[2-(4-acetylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504453
[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate
CID 8611982
3-O-[2-(4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860643
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860713
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3-fluorobenzoate
CID 9198592
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-(3-fluoroanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386670

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate (CID 2427007) is [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate is CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is AFENJMCNJNVACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-11(20)12-5-7-15(8-6-12)19-16(21)10-23-17(22)13-3-2-4-14(18)9-13/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate?
[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 315.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 2427007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).