ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate

C18H17F3N2O3 — CID 9082931

IUPACethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-2-26-17(25)14-8-3-4-9-15(14)23-16(24)11-22-13-7-5-6-12(10-13)18(19,20)21/h3-10,22H,2,11H2,1H3,(H,23,24)
InChIKeyRDDLAJUHKIOVLO-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.93
Rot. Bonds6

About ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate

ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate (PubChem CID 9082931) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate
PubChem CID9082931
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Nameethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-2-26-17(25)14-8-3-4-9-15(14)23-16(24)11-22-13-7-5-6-12(10-13)18(19,20)21/h3-10,22H,2,11H2,1H3,(H,23,24)
InChIKeyRDDLAJUHKIOVLO-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[3-oxo-3-[3-(trifluoromethyl)anilino]propanoyl]amino]benzoate
CID 108956085
ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate
CID 26438599
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172
N-cyclopropyl-2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 25353415
ethyl 2-[[2-(3-acetamido-4-fluoroanilino)acetyl]amino]benzoate
CID 31767371
ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate
CID 109042084
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 16619639
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 8789976

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate (CID 9082931) is ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate?
The InChIKey is RDDLAJUHKIOVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-2-26-17(25)14-8-3-4-9-15(14)23-16(24)11-22-13-7-5-6-12(10-13)18(19,20)21/h3-10,22H,2,11H2,1H3,(H,23,24).
What are the key properties of ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate?
ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate has a molecular weight of 366.34 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate is sourced from PubChem (CID 9082931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).