2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid

C16H12F3NO4 — CID 27838

IUPAC2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3NO4/c17-16(18,19)10-4-3-5-11(8-10)20-15(23)12-6-1-2-7-13(12)24-9-14(21)22/h1-8H,9H2,(H,20,23)(H,21,22)
InChIKeyGJOGJRFWQUSXMT-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid

2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid (PubChem CID 27838) has the molecular formula C16H12F3NO4 and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid
PubChem CID27838
Molecular FormulaC16H12F3NO4
Molecular Weight339.27 g/mol
Exact Mass339.07
IUPAC Name2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3NO4/c17-16(18,19)10-4-3-5-11(8-10)20-15(23)12-6-1-2-7-13(12)24-9-14(21)22/h1-8H,9H2,(H,20,23)(H,21,22)
InChIKeyGJOGJRFWQUSXMT-UHFFFAOYSA-N
XLogP3.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid (CID 27838) is 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid is O=C(O)COc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is GJOGJRFWQUSXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO4/c17-16(18,19)10-4-3-5-11(8-10)20-15(23)12-6-1-2-7-13(12)24-9-14(21)22/h1-8H,9H2,(H,20,23)(H,21,22).
What are the key properties of 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid?
2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 339.27 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 27838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).