2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate

C17H16FNO4 — CID 4804285

IUPAC2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO4/c1-12(20)19-14-8-6-13(7-9-14)17(21)23-11-10-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyBYNPCSZGYYVFOO-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.02
Rot. Bonds6

About 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate

2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate (PubChem CID 4804285) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
PubChem CID4804285
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO4/c1-12(20)19-14-8-6-13(7-9-14)17(21)23-11-10-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyBYNPCSZGYYVFOO-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate
CID 42986213
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961515
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
N-[4-[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 17465388
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974266
2-(2-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331852
2-(2-fluorophenoxy)ethyl 4-(methylamino)-3-nitrobenzoate
CID 7650660
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
(2-fluorophenyl) 4-(carbamoylamino)benzoate
CID 47098082
2-(2-fluorophenoxy)ethyl 3-methylbut-2-enoate
CID 78760883

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate (CID 4804285) is 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCCOc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate?
The InChIKey is BYNPCSZGYYVFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-12(20)19-14-8-6-13(7-9-14)17(21)23-11-10-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate?
2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate has a molecular weight of 317.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate is sourced from PubChem (CID 4804285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).