2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid

C17H14F3NO4 — CID 71328025

IUPAC2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid
SMILESCC(Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C17H14F3NO4/c1-10(16(23)24)25-12-6-4-5-11(9-12)21-15(22)13-7-2-3-8-14(13)17(18,19)20/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyNQLVQBQVABMALQ-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.81
Rot. Bonds5

About 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid

2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid (PubChem CID 71328025) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid
PubChem CID71328025
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid
SMILESCC(Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C17H14F3NO4/c1-10(16(23)24)25-12-6-4-5-11(9-12)21-15(22)13-7-2-3-8-14(13)17(18,19)20/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyNQLVQBQVABMALQ-UHFFFAOYSA-N
XLogP3.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid?
The IUPAC name of 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid (CID 71328025) is 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid.
What is the SMILES notation for 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid?
The canonical SMILES for 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid is CC(Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid?
The InChIKey is NQLVQBQVABMALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c1-10(16(23)24)25-12-6-4-5-11(9-12)21-15(22)13-7-2-3-8-14(13)17(18,19)20/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid?
2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid has a molecular weight of 353.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]propanoic acid is sourced from PubChem (CID 71328025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).