2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid

C19H18F3NO4 — CID 120552782

IUPAC2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid
SMILESCC(Cc1ccccc1C(F)(F)F)NC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C19H18F3NO4/c1-12(9-13-5-2-3-8-16(13)19(20,21)22)23-18(26)14-6-4-7-15(10-14)27-11-17(24)25/h2-8,10,12H,9,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyXAPBDMSEIZNZOS-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.53
Rot. Bonds7

About 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid

2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid (PubChem CID 120552782) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid
PubChem CID120552782
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid
SMILESCC(Cc1ccccc1C(F)(F)F)NC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C19H18F3NO4/c1-12(9-13-5-2-3-8-16(13)19(20,21)22)23-18(26)14-6-4-7-15(10-14)27-11-17(24)25/h2-8,10,12H,9,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyXAPBDMSEIZNZOS-UHFFFAOYSA-N
XLogP3.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-oxo-2-[1-[2-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl]benzoic acid
CID 120552784
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 120552775
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182902
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
4-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoylamino]butanoic acid
CID 122009480
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide
CID 59897088
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 55712296
2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 97347801

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid (CID 120552782) is 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid is CC(Cc1ccccc1C(F)(F)F)NC(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid?
The InChIKey is XAPBDMSEIZNZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-12(9-13-5-2-3-8-16(13)19(20,21)22)23-18(26)14-6-4-7-15(10-14)27-11-17(24)25/h2-8,10,12H,9,11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid?
2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid has a molecular weight of 381.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120552782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).