5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid

C17H11F3N2O4 — CID 155164298

IUPAC5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid
SMILESO=C(Nc1ccc2cn(C(=O)O)cc2c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)26-14-5-2-10(3-6-14)15(23)21-13-4-1-11-8-22(16(24)25)9-12(11)7-13/h1-9H,(H,21,23)(H,24,25)
InChIKeyYHLPQSVKRJGZND-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.32
Rot. Bonds3

About 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid

5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid (PubChem CID 155164298) has the molecular formula C17H11F3N2O4 and a molecular weight of 364.28 g/mol. Its IUPAC name is 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid
PubChem CID155164298
Molecular FormulaC17H11F3N2O4
Molecular Weight364.28 g/mol
Exact Mass364.07
IUPAC Name5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid
SMILESO=C(Nc1ccc2cn(C(=O)O)cc2c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)26-14-5-2-10(3-6-14)15(23)21-13-4-1-11-8-22(16(24)25)9-12(11)7-13/h1-9H,(H,21,23)(H,24,25)
InChIKeyYHLPQSVKRJGZND-UHFFFAOYSA-N
XLogP4.32
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
(6-benzamidonaphthalen-2-yl) trifluoromethanesulfonate
CID 135008769

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid?
The IUPAC name of 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid (CID 155164298) is 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid?
The canonical SMILES for 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid is O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid?
The InChIKey is YHLPQSVKRJGZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O4/c18-17(19,20)26-14-5-2-10(3-6-14)15(23)21-13-4-1-11-8-22(16(24)25)9-12(11)7-13/h1-9H,(H,21,23)(H,24,25).
What are the key properties of 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid?
5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid has a molecular weight of 364.28 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethoxy)benzoyl]amino]isoindole-2-carboxylic acid is sourced from PubChem (CID 155164298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).