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

C10H8F3NO3 — CID 531421

IUPACmethyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H8F3NO3/c1-17-7(15)4-14-10(16)5-2-3-6(11)9(13)8(5)12/h2-3H,4H2,1H3,(H,14,16)
InChIKeyKEBJVTNUWUBQGP-UHFFFAOYSA-N
MW247.17 g/mol
LogP1.01
Rot. Bonds3

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

methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate (PubChem CID 531421) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
PubChem CID531421
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Namemethyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H8F3NO3/c1-17-7(15)4-14-10(16)5-2-3-6(11)9(13)8(5)12/h2-3H,4H2,1H3,(H,14,16)
InChIKeyKEBJVTNUWUBQGP-UHFFFAOYSA-N
XLogP1.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.01
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

2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
(3-methylphenyl) 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 110670433
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
N-(3-bromo-2,2-dimethylpropyl)-2,3,4-trifluorobenzamide
CID 115364841
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 112997585
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
N-(4-chloro-2,2-dimethylbutyl)-2,3,4-trifluorobenzamide
CID 106142636
ethyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574418
2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108542900
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate (CID 531421) is methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate?
The InChIKey is KEBJVTNUWUBQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c1-17-7(15)4-14-10(16)5-2-3-6(11)9(13)8(5)12/h2-3H,4H2,1H3,(H,14,16).
What are the key properties of methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate?
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate has a molecular weight of 247.17 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate is sourced from PubChem (CID 531421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).