4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid

C15H11BrFNO2 — CID 103497755

IUPAC4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(Br)cc1N1CCc2ccc(F)cc21
InChIInChI=1S/C15H11BrFNO2/c16-10-2-4-12(15(19)20)14(7-10)18-6-5-9-1-3-11(17)8-13(9)18/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyCJOBHCKTUJTLGK-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.98
Rot. Bonds2

About 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid

4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid (PubChem CID 103497755) has the molecular formula C15H11BrFNO2 and a molecular weight of 336.16 g/mol. Its IUPAC name is 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
PubChem CID103497755
Molecular FormulaC15H11BrFNO2
Molecular Weight336.16 g/mol
Exact Mass335.00
IUPAC Name4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(Br)cc1N1CCc2ccc(F)cc21
InChIInChI=1S/C15H11BrFNO2/c16-10-2-4-12(15(19)20)14(7-10)18-6-5-9-1-3-11(17)8-13(9)18/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyCJOBHCKTUJTLGK-UHFFFAOYSA-N
XLogP3.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 107282369
2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 103496498
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
2-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoic acid
CID 175752209
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
4-chloro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 103495654
4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid
CID 28740437

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The IUPAC name of 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid (CID 103497755) is 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid.
What is the SMILES notation for 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The canonical SMILES for 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid is O=C(O)c1ccc(Br)cc1N1CCc2ccc(F)cc21.
What is the InChIKey of 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The InChIKey is CJOBHCKTUJTLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2/c16-10-2-4-12(15(19)20)14(7-10)18-6-5-9-1-3-11(17)8-13(9)18/h1-4,7-8H,5-6H2,(H,19,20).
What are the key properties of 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid has a molecular weight of 336.16 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid is sourced from PubChem (CID 103497755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).