ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate

C11H10F3NO3 — CID 63186625

IUPACethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3NO3/c1-2-18-9(16)5-15-11(17)6-3-7(12)10(14)8(13)4-6/h3-4H,2,5H2,1H3,(H,15,17)
InChIKeyNUIUILHTYWOTSU-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.40
Rot. Bonds4

About ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate

ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate (PubChem CID 63186625) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
PubChem CID63186625
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Nameethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3NO3/c1-2-18-9(16)5-15-11(17)6-3-7(12)10(14)8(13)4-6/h3-4H,2,5H2,1H3,(H,15,17)
InChIKeyNUIUILHTYWOTSU-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
3,4,5-trifluoro-N-(2-oxopropyl)benzamide
CID 64997335
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
CID 62680737
ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
CID 103601355
ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate
CID 78953187
N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619
ethyl 2-[(3,4,5-trifluorophenyl)methylamino]acetate
CID 63050540
ethyl 4-oxo-4-(3,4,5-trifluorophenyl)butanoate
CID 24727364
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]propanoate
CID 63186715
N-[2-(chloromethyl)-2-ethylbutyl]-3,4,5-trifluorobenzamide
CID 106253344
2,2-dimethyl-3-[(3,4,5-trifluorobenzoyl)amino]propanoic acid
CID 81369137

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate (CID 63186625) is ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate?
The InChIKey is NUIUILHTYWOTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-2-18-9(16)5-15-11(17)6-3-7(12)10(14)8(13)4-6/h3-4H,2,5H2,1H3,(H,15,17).
What are the key properties of ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate?
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate has a molecular weight of 261.20 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4,5-trifluorobenzoyl)amino]acetate is sourced from PubChem (CID 63186625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).