5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid

C15H9ClF3NO3 — CID 16776679

IUPAC5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9ClF3NO3/c16-8-5-6-12(10(7-8)14(22)23)20-13(21)9-3-1-2-4-11(9)15(17,18)19/h1-7H,(H,20,21)(H,22,23)
InChIKeyOZNWYIBGDXGZAF-UHFFFAOYSA-N
MW343.69 g/mol
LogP4.31
Rot. Bonds3

About 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid

5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid (PubChem CID 16776679) has the molecular formula C15H9ClF3NO3 and a molecular weight of 343.69 g/mol. Its IUPAC name is 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
PubChem CID16776679
Molecular FormulaC15H9ClF3NO3
Molecular Weight343.69 g/mol
Exact Mass343.02
IUPAC Name5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9ClF3NO3/c16-8-5-6-12(10(7-8)14(22)23)20-13(21)9-3-1-2-4-11(9)15(17,18)19/h1-7H,(H,20,21)(H,22,23)
InChIKeyOZNWYIBGDXGZAF-UHFFFAOYSA-N
XLogP4.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid (CID 16776679) is 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid is O=C(O)c1cc(Cl)ccc1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid?
The InChIKey is OZNWYIBGDXGZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO3/c16-8-5-6-12(10(7-8)14(22)23)20-13(21)9-3-1-2-4-11(9)15(17,18)19/h1-7H,(H,20,21)(H,22,23).
What are the key properties of 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid?
5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid has a molecular weight of 343.69 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 16776679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).