methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate

C13H14F3NO3 — CID 61383269

IUPACmethyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO3/c1-3-17(8-11(18)20-2)12(19)9-5-4-6-10(7-9)13(14,15)16/h4-7H,3,8H2,1-2H3
InChIKeyISJBVBATFYWGMI-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.34
Rot. Bonds4

About methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate

methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 61383269) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID61383269
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Namemethyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO3/c1-3-17(8-11(18)20-2)12(19)9-5-4-6-10(7-9)13(14,15)16/h4-7H,3,8H2,1-2H3
InChIKeyISJBVBATFYWGMI-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 61011016
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide
CID 91726464
N-(3-bromopropyl)-N-ethyl-3-(trifluoromethyl)benzamide
CID 113469197
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 26583597
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
CID 54898552

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate (CID 61383269) is methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate is CCN(CC(=O)OC)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is ISJBVBATFYWGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-3-17(8-11(18)20-2)12(19)9-5-4-6-10(7-9)13(14,15)16/h4-7H,3,8H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate?
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 289.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 61383269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).