methyl 8-(4-fluoroanilino)-8-oxooctanoate

C15H20FNO3 — CID 46206084

IUPACmethyl 8-(4-fluoroanilino)-8-oxooctanoate
SMILESCOC(=O)CCCCCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-20-15(19)7-5-3-2-4-6-14(18)17-13-10-8-12(16)9-11-13/h8-11H,2-7H2,1H3,(H,17,18)
InChIKeyPXWVIJNSQFVJBW-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.28
Rot. Bonds8

About methyl 8-(4-fluoroanilino)-8-oxooctanoate

methyl 8-(4-fluoroanilino)-8-oxooctanoate (PubChem CID 46206084) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 8-(4-fluoroanilino)-8-oxooctanoate.

Molecular Properties

Compound Namemethyl 8-(4-fluoroanilino)-8-oxooctanoate
PubChem CID46206084
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 8-(4-fluoroanilino)-8-oxooctanoate
SMILESCOC(=O)CCCCCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-20-15(19)7-5-3-2-4-6-14(18)17-13-10-8-12(16)9-11-13/h8-11H,2-7H2,1H3,(H,17,18)
InChIKeyPXWVIJNSQFVJBW-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9,9-trifluoro-8-oxo-N-phenylnonanamide
CID 9882812
Oleic Acid Anilide
CID 5354590
2-[(2,3-Difluorophenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 5270600
[(4-Fluorophenyl)carbamoyl]methyl 3-cyclopentylpropanoate
CID 2338160
Octadecanamide, N-phenyl-
CID 69476
1-(4-Fluoroanilino)-1-oxopropan-2-yl cyclohexylacetate
CID 24979310
N-(3-fluorophenyl)-N'-hydroxyoctanediamide
CID 9838671
Hexadecanamide, N-phenyl-
CID 96171
N-(4-fluorophenyl)-N'-hydroxyoctanediamide
CID 24861442
Myristanilide
CID 69324
N-Phenyldodecanamide
CID 94794
Decanamide, N-phenyl-
CID 203897

Frequently Asked Questions

What is the IUPAC name of methyl 8-(4-fluoroanilino)-8-oxooctanoate?
The IUPAC name of methyl 8-(4-fluoroanilino)-8-oxooctanoate (CID 46206084) is methyl 8-(4-fluoroanilino)-8-oxooctanoate.
What is the SMILES notation for methyl 8-(4-fluoroanilino)-8-oxooctanoate?
The canonical SMILES for methyl 8-(4-fluoroanilino)-8-oxooctanoate is COC(=O)CCCCCCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of methyl 8-(4-fluoroanilino)-8-oxooctanoate?
The InChIKey is PXWVIJNSQFVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-20-15(19)7-5-3-2-4-6-14(18)17-13-10-8-12(16)9-11-13/h8-11H,2-7H2,1H3,(H,17,18).
What are the key properties of methyl 8-(4-fluoroanilino)-8-oxooctanoate?
methyl 8-(4-fluoroanilino)-8-oxooctanoate has a molecular weight of 281.33 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(4-fluoroanilino)-8-oxooctanoate is sourced from PubChem (CID 46206084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).