methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate

C17H15F3N2O3 — CID 9083088

IUPACmethyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O3/c1-25-16(24)11-2-6-13(7-3-11)21-10-15(23)22-14-8-4-12(5-9-14)17(18,19)20/h2-9,21H,10H2,1H3,(H,22,23)
InChIKeyRIKLDMYCBKQJOQ-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.54
Rot. Bonds5

About methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate

methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate (PubChem CID 9083088) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
PubChem CID9083088
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Namemethyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O3/c1-25-16(24)11-2-6-13(7-3-11)21-10-15(23)22-14-8-4-12(5-9-14)17(18,19)20/h2-9,21H,10H2,1H3,(H,22,23)
InChIKeyRIKLDMYCBKQJOQ-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 9082993
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
methyl 3-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 36586938
methyl 4-[[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 7636745
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
methyl 4-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]benzoate
CID 54816789
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
methyl 4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzoate
CID 54816861

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate (CID 9083088) is methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate is COC(=O)c1ccc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate?
The InChIKey is RIKLDMYCBKQJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-25-16(24)11-2-6-13(7-3-11)21-10-15(23)22-14-8-4-12(5-9-14)17(18,19)20/h2-9,21H,10H2,1H3,(H,22,23).
What are the key properties of methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate?
methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate has a molecular weight of 352.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate is sourced from PubChem (CID 9083088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).