ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate

C19H18F3NO4 — CID 100757931

IUPACethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3NO4/c1-3-26-18(25)13-8-7-12(2)16(9-13)23-17(24)11-27-15-6-4-5-14(10-15)19(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,24)
InChIKeyNOESJHKDZHOUDG-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.21
Rot. Bonds6

About ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate

ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate (PubChem CID 100757931) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
PubChem CID100757931
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Nameethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3NO4/c1-3-26-18(25)13-8-7-12(2)16(9-13)23-17(24)11-27-15-6-4-5-14(10-15)19(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,24)
InChIKeyNOESJHKDZHOUDG-UHFFFAOYSA-N
XLogP4.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
2-(3-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 42989700
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853946
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119439280
diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 7917451
N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 100758130
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate (CID 100757931) is ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate is CCOC(=O)c1ccc(C)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is NOESJHKDZHOUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-3-26-18(25)13-8-7-12(2)16(9-13)23-17(24)11-27-15-6-4-5-14(10-15)19(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,24).
What are the key properties of ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate?
ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 381.35 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 100757931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).