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

C17H14FNO4 — CID 2628003

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO4/c1-11(20)12-4-8-15(9-5-12)19-16(21)10-23-17(22)13-2-6-14(18)7-3-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyJOVRWQNNVXLMNR-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.82
Rot. Bonds5

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

[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2628003) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID2628003
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO4/c1-11(20)12-4-8-15(9-5-12)19-16(21)10-23-17(22)13-2-6-14(18)7-3-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyJOVRWQNNVXLMNR-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-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 2427007
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067520
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526
[2-(4-fluoroanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504589
[2-(4-acetylanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate
CID 19059169
[2-(4-fluoroanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834059
[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828175
3-O-[2-(4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860643
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate (CID 2628003) is [2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate is CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is JOVRWQNNVXLMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-11(20)12-4-8-15(9-5-12)19-16(21)10-23-17(22)13-2-6-14(18)7-3-13/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate?
[2-(4-acetylanilino)-2-oxoethyl] 4-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] 4-fluorobenzoate is sourced from PubChem (CID 2628003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).