3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid

C17H10F3NO4 — CID 712666

IUPAC3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)oc2ccccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(22)21-13-11-3-1-2-4-12(11)25-14(13)16(23)24/h1-8H,(H,21,22)(H,23,24)
InChIKeyFWHZZAAMJICPRH-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.40
Rot. Bonds3

About 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid

3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid (PubChem CID 712666) has the molecular formula C17H10F3NO4 and a molecular weight of 349.26 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid
PubChem CID712666
Molecular FormulaC17H10F3NO4
Molecular Weight349.26 g/mol
Exact Mass349.06
IUPAC Name3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)oc2ccccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(22)21-13-11-3-1-2-4-12(11)25-14(13)16(23)24/h1-8H,(H,21,22)(H,23,24)
InChIKeyFWHZZAAMJICPRH-UHFFFAOYSA-N
XLogP4.40
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid (CID 712666) is 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid is O=C(Nc1c(C(=O)O)oc2ccccc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid?
The InChIKey is FWHZZAAMJICPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(22)21-13-11-3-1-2-4-12(11)25-14(13)16(23)24/h1-8H,(H,21,22)(H,23,24).
What are the key properties of 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid?
3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid has a molecular weight of 349.26 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 712666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).