2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid

C17H15F3N2O3 — CID 23512199

IUPAC2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O3/c1-10-8-11(9-15(23)24)6-7-13(10)21-16(25)22-14-5-3-2-4-12(14)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyJLPZOUPFVGYUSY-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.28
Rot. Bonds4

About 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid

2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid (PubChem CID 23512199) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
PubChem CID23512199
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O3/c1-10-8-11(9-15(23)24)6-7-13(10)21-16(25)22-14-5-3-2-4-12(14)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyJLPZOUPFVGYUSY-UHFFFAOYSA-N
XLogP4.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid (CID 23512199) is 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid is Cc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The InChIKey is JLPZOUPFVGYUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-10-8-11(9-15(23)24)6-7-13(10)21-16(25)22-14-5-3-2-4-12(14)17(18,19)20/h2-8H,9H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid has a molecular weight of 352.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 23512199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).