[[3-(trifluoromethyl)benzoyl]amino] acetate

C10H8F3NO3 — CID 87589767

IUPAC[[3-(trifluoromethyl)benzoyl]amino] acetate
SMILESCC(=O)ONC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO3/c1-6(15)17-14-9(16)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKeyOPVDJGBMLAPXIL-UHFFFAOYSA-N
MW247.17 g/mol
LogP1.91
Rot. Bonds1

About [[3-(trifluoromethyl)benzoyl]amino] acetate

[[3-(trifluoromethyl)benzoyl]amino] acetate (PubChem CID 87589767) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is [[3-(trifluoromethyl)benzoyl]amino] acetate.

Molecular Properties

Compound Name[[3-(trifluoromethyl)benzoyl]amino] acetate
PubChem CID87589767
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name[[3-(trifluoromethyl)benzoyl]amino] acetate
SMILESCC(=O)ONC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO3/c1-6(15)17-14-9(16)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKeyOPVDJGBMLAPXIL-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82725291
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(1-amino-2-methylprop-2-enyl)-3-(trifluoromethyl)benzamide
CID 177013336
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide
CID 55856487
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750

Frequently Asked Questions

What is the IUPAC name of [[3-(trifluoromethyl)benzoyl]amino] acetate?
The IUPAC name of [[3-(trifluoromethyl)benzoyl]amino] acetate (CID 87589767) is [[3-(trifluoromethyl)benzoyl]amino] acetate.
What is the SMILES notation for [[3-(trifluoromethyl)benzoyl]amino] acetate?
The canonical SMILES for [[3-(trifluoromethyl)benzoyl]amino] acetate is CC(=O)ONC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [[3-(trifluoromethyl)benzoyl]amino] acetate?
The InChIKey is OPVDJGBMLAPXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c1-6(15)17-14-9(16)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3,(H,14,16).
What are the key properties of [[3-(trifluoromethyl)benzoyl]amino] acetate?
[[3-(trifluoromethyl)benzoyl]amino] acetate has a molecular weight of 247.17 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(trifluoromethyl)benzoyl]amino] acetate is sourced from PubChem (CID 87589767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).