methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate

C17H15F3N2O4 — CID 30644453

IUPACmethyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O4/c1-25-16(24)11-6-8-12(9-7-11)22-15(23)10-21-13-4-2-3-5-14(13)26-17(18,19)20/h2-9,21H,10H2,1H3,(H,22,23)
InChIKeyTVUGDEBKZMDBPD-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.42
Rot. Bonds6

About methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate

methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate (PubChem CID 30644453) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
PubChem CID30644453
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Namemethyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O4/c1-25-16(24)11-6-8-12(9-7-11)22-15(23)10-21-13-4-2-3-5-14(13)26-17(18,19)20/h2-9,21H,10H2,1H3,(H,22,23)
InChIKeyTVUGDEBKZMDBPD-UHFFFAOYSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate
CID 60536886
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
CID 30637236
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 9083088
methyl 4-[[2-[2-(diethylaminomethyl)anilino]acetyl]amino]benzoate
CID 60536782
methyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 9082993
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
methyl 4-[[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 7636745
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate
CID 54817296
methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
CID 109010194

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate (CID 30644453) is methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate?
The InChIKey is TVUGDEBKZMDBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-25-16(24)11-6-8-12(9-7-11)22-15(23)10-21-13-4-2-3-5-14(13)26-17(18,19)20/h2-9,21H,10H2,1H3,(H,22,23).
What are the key properties of methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate?
methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate has a molecular weight of 368.31 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate is sourced from PubChem (CID 30644453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).