methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate

C17H14F3NO5 — CID 56543418

IUPACmethyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C17H14F3NO5/c1-25-16(24)10-5-4-7-12(15(10)23)21-14(22)9-26-13-8-3-2-6-11(13)17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22)
InChIKeyLVKJKVDAQDOULU-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.22
Rot. Bonds5

About methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate

methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate (PubChem CID 56543418) has the molecular formula C17H14F3NO5 and a molecular weight of 369.30 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
PubChem CID56543418
Molecular FormulaC17H14F3NO5
Molecular Weight369.30 g/mol
Exact Mass369.08
IUPAC Namemethyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C17H14F3NO5/c1-25-16(24)10-5-4-7-12(15(10)23)21-14(22)9-26-13-8-3-2-6-11(13)17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22)
InChIKeyLVKJKVDAQDOULU-UHFFFAOYSA-N
XLogP3.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543416
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543383
N-[2-[(dimethylamino)methyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 38435524
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
methyl 2-hydroxy-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 56577461
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
methyl 2-[2-(2-iodoanilino)-2-oxoethoxy]benzoate
CID 7763964
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
methyl 3-bromo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 36940941
N-(2,5-difluorophenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088986

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate (CID 56543418) is methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)COc2ccccc2C(F)(F)F)c1O.
What is the InChIKey of methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is LVKJKVDAQDOULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO5/c1-25-16(24)10-5-4-7-12(15(10)23)21-14(22)9-26-13-8-3-2-6-11(13)17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22).
What are the key properties of methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate?
methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 369.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 56543418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).