4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid

C18H16F3NO4 — CID 134086672

IUPAC4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO4/c19-18(20,21)12-5-3-6-13(11-12)22-17(25)14-7-1-2-8-15(14)26-10-4-9-16(23)24/h1-3,5-8,11H,4,9-10H2,(H,22,25)(H,23,24)
InChIKeyWRUPYRUZOLUGIS-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.20
Rot. Bonds7

About 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid

4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid (PubChem CID 134086672) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
PubChem CID134086672
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO4/c19-18(20,21)12-5-3-6-13(11-12)22-17(25)14-7-1-2-8-15(14)26-10-4-9-16(23)24/h1-3,5-8,11H,4,9-10H2,(H,22,25)(H,23,24)
InChIKeyWRUPYRUZOLUGIS-UHFFFAOYSA-N
XLogP4.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
2-(2-methoxyethoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17197845
2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118043131
2-butoxy-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide
CID 26168264
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
4-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 28511821

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid?
The IUPAC name of 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid (CID 134086672) is 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid is O=C(O)CCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid?
The InChIKey is WRUPYRUZOLUGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c19-18(20,21)12-5-3-6-13(11-12)22-17(25)14-7-1-2-8-15(14)26-10-4-9-16(23)24/h1-3,5-8,11H,4,9-10H2,(H,22,25)(H,23,24).
What are the key properties of 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid?
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid has a molecular weight of 367.32 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid is sourced from PubChem (CID 134086672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).