methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate

C17H16FNO4 — CID 7667243

IUPACmethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H16FNO4/c1-11-3-6-13(9-15(11)18)19-16(20)10-23-14-7-4-12(5-8-14)17(21)22-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyOOWYQPYUDADEMP-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.94
Rot. Bonds5

About methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate

methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate (PubChem CID 7667243) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate
PubChem CID7667243
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Namemethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H16FNO4/c1-11-3-6-13(9-15(11)18)19-16(20)10-23-14-7-4-12(5-8-14)17(21)22-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyOOWYQPYUDADEMP-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796392
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9325956
N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107168696
N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208585
methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate
CID 7667527
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-fluoro-4-methylphenyl)acetamide
CID 60594803
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519085
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate (CID 7667243) is methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate is COC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate?
The InChIKey is OOWYQPYUDADEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-11-3-6-13(9-15(11)18)19-16(20)10-23-14-7-4-12(5-8-14)17(21)22-2/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate?
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate has a molecular weight of 317.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7667243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).