methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate

C17H16FNO5 — CID 122149828

IUPACmethyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(N(C)C(=O)c2cc(F)ccc2O)cc1
InChIInChI=1S/C17H16FNO5/c1-19(17(22)14-9-11(18)3-8-15(14)20)12-4-6-13(7-5-12)24-10-16(21)23-2/h3-9,20H,10H2,1-2H3
InChIKeyCMJYAYACPVVWTF-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.36
Rot. Bonds5

About methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate

methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate (PubChem CID 122149828) has the molecular formula C17H16FNO5 and a molecular weight of 333.32 g/mol. Its IUPAC name is methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate
PubChem CID122149828
Molecular FormulaC17H16FNO5
Molecular Weight333.32 g/mol
Exact Mass333.10
IUPAC Namemethyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(N(C)C(=O)c2cc(F)ccc2O)cc1
InChIInChI=1S/C17H16FNO5/c1-19(17(22)14-9-11(18)3-8-15(14)20)12-4-6-13(7-5-12)24-10-16(21)23-2/h3-9,20H,10H2,1-2H3
InChIKeyCMJYAYACPVVWTF-UHFFFAOYSA-N
XLogP2.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
5-fluoro-2-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936071
5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide
CID 75432569
5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107729726
methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
CID 43406909
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 3988211
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate
CID 22096865
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate (CID 122149828) is methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate is COC(=O)COc1ccc(N(C)C(=O)c2cc(F)ccc2O)cc1.
What is the InChIKey of methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate?
The InChIKey is CMJYAYACPVVWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c1-19(17(22)14-9-11(18)3-8-15(14)20)12-4-6-13(7-5-12)24-10-16(21)23-2/h3-9,20H,10H2,1-2H3.
What are the key properties of methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate?
methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate has a molecular weight of 333.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate is sourced from PubChem (CID 122149828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).