2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid

C16H13FN2O3 — CID 90089634

IUPAC2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC2C(=O)Nc3cc(F)ccc32)c(C(=O)O)c1
InChIInChI=1S/C16H13FN2O3/c1-8-2-5-12(11(6-8)16(21)22)18-14-10-4-3-9(17)7-13(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)(H,21,22)
InChIKeyHHJBOBAXUDXLQO-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.94
Rot. Bonds3

About 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid

2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid (PubChem CID 90089634) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid
PubChem CID90089634
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC2C(=O)Nc3cc(F)ccc32)c(C(=O)O)c1
InChIInChI=1S/C16H13FN2O3/c1-8-2-5-12(11(6-8)16(21)22)18-14-10-4-3-9(17)7-13(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)(H,21,22)
InChIKeyHHJBOBAXUDXLQO-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid (CID 90089634) is 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid is Cc1ccc(NC2C(=O)Nc3cc(F)ccc32)c(C(=O)O)c1.
What is the InChIKey of 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid?
The InChIKey is HHJBOBAXUDXLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-8-2-5-12(11(6-8)16(21)22)18-14-10-4-3-9(17)7-13(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid?
2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid has a molecular weight of 300.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 90089634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).