3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid

C19H16Cl2F3NO3 — CID 67362401

IUPAC3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2F3NO3/c20-14-6-3-12(16(21)9-14)8-17(26)25-15(10-18(27)28)7-11-1-4-13(5-2-11)19(22,23)24/h1-6,9,15H,7-8,10H2,(H,25,26)(H,27,28)
InChIKeyXCHJCCICTPEZSG-UHFFFAOYSA-N
MW434.24 g/mol
LogP4.76
Rot. Bonds7

About 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid

3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 67362401) has the molecular formula C19H16Cl2F3NO3 and a molecular weight of 434.24 g/mol. Its IUPAC name is 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
PubChem CID67362401
Molecular FormulaC19H16Cl2F3NO3
Molecular Weight434.24 g/mol
Exact Mass433.05
IUPAC Name3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2F3NO3/c20-14-6-3-12(16(21)9-14)8-17(26)25-15(10-18(27)28)7-11-1-4-13(5-2-11)19(22,23)24/h1-6,9,15H,7-8,10H2,(H,25,26)(H,27,28)
InChIKeyXCHJCCICTPEZSG-UHFFFAOYSA-N
XLogP4.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid (CID 67362401) is 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid is O=C(O)CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is XCHJCCICTPEZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3NO3/c20-14-6-3-12(16(21)9-14)8-17(26)25-15(10-18(27)28)7-11-1-4-13(5-2-11)19(22,23)24/h1-6,9,15H,7-8,10H2,(H,25,26)(H,27,28).
What are the key properties of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid?
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 434.24 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 67362401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).