4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid

C15H11FN2O3 — CID 43321623

IUPAC4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C15H11FN2O3/c16-9-3-6-11-12(7-9)18-14(19)13(11)17-10-4-1-8(2-5-10)15(20)21/h1-7,13,17H,(H,18,19)(H,20,21)
InChIKeyOQTDVYDBBZJJON-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.63
Rot. Bonds3

About 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid

4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid (PubChem CID 43321623) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
PubChem CID43321623
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C15H11FN2O3/c16-9-3-6-11-12(7-9)18-14(19)13(11)17-10-4-1-8(2-5-10)15(20)21/h1-7,13,17H,(H,18,19)(H,20,21)
InChIKeyOQTDVYDBBZJJON-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzamide
CID 43193021
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739
3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43192669
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43119152
methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate
CID 43726107
3-anilino-6-bromo-1,3-dihydroindol-2-one
CID 43190041
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291
methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate
CID 43139137
3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 43745994

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid?
The IUPAC name of 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid (CID 43321623) is 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid?
The canonical SMILES for 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid is O=C(O)c1ccc(NC2C(=O)Nc3cc(F)ccc32)cc1.
What is the InChIKey of 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid?
The InChIKey is OQTDVYDBBZJJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-9-3-6-11-12(7-9)18-14(19)13(11)17-10-4-1-8(2-5-10)15(20)21/h1-7,13,17H,(H,18,19)(H,20,21).
What are the key properties of 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid?
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid has a molecular weight of 286.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid is sourced from PubChem (CID 43321623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).