butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate

C19H20FNO4 — CID 33395881

IUPACbutyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C19H20FNO4/c1-2-3-12-24-19(23)14-8-4-7-11-17(14)25-13-18(22)21-16-10-6-5-9-15(16)20/h4-11H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyXAEROQMEYZRCPY-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.80
Rot. Bonds8

About butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate

butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate (PubChem CID 33395881) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namebutyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
PubChem CID33395881
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Namebutyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C19H20FNO4/c1-2-3-12-24-19(23)14-8-4-7-11-17(14)25-13-18(22)21-16-10-6-5-9-15(16)20/h4-11H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyXAEROQMEYZRCPY-UHFFFAOYSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.80
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-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 30052455
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 42970641
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55765507
hexyl 2-butoxybenzoate
CID 70562326
butyl 2-octoxybenzoate
CID 50943104
butyl 2-nonoxybenzoate
CID 151830441
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 43023216
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173831
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908720
methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
CID 7763972
butyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 18289886
dodecyl 2-dodecoxybenzoate
CID 57240468

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The IUPAC name of butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate (CID 33395881) is butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate is CCCCOC(=O)c1ccccc1OCC(=O)Nc1ccccc1F.
What is the InChIKey of butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The InChIKey is XAEROQMEYZRCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-2-3-12-24-19(23)14-8-4-7-11-17(14)25-13-18(22)21-16-10-6-5-9-15(16)20/h4-11H,2-3,12-13H2,1H3,(H,21,22).
What are the key properties of butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate has a molecular weight of 345.37 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 33395881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).