[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate

C19H20FNO4 — CID 7211570

IUPAC[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C19H20FNO4/c1-3-10-24-15-7-5-14(6-8-15)19(23)25-12-18(22)21-17-9-4-13(2)11-16(17)20/h4-9,11H,3,10,12H2,1-2H3,(H,21,22)
InChIKeyGPCDMKNAJSDXKT-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.72
Rot. Bonds7

About [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate (PubChem CID 7211570) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate
PubChem CID7211570
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C19H20FNO4/c1-3-10-24-15-7-5-14(6-8-15)19(23)25-12-18(22)21-17-9-4-13(2)11-16(17)20/h4-9,11H,3,10,12H2,1-2H3,(H,21,22)
InChIKeyGPCDMKNAJSDXKT-UHFFFAOYSA-N
XLogP3.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-butoxybenzoate
CID 8863143
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781013
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 2356763
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625861
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326061
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-propoxybenzoate
CID 7211967
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(3-methylbutoxy)benzoate
CID 2443222
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7985943
ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211927
ethyl 4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]benzoate
CID 34569554
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate (CID 7211570) is [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)cc1.
What is the InChIKey of [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is GPCDMKNAJSDXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-3-10-24-15-7-5-14(6-8-15)19(23)25-12-18(22)21-17-9-4-13(2)11-16(17)20/h4-9,11H,3,10,12H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate?
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate has a molecular weight of 345.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate is sourced from PubChem (CID 7211570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).