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

C16H14FNO2 — CID 103496467

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H14FNO2/c1-10-8-12(16(19)20)3-5-14(10)18-7-6-11-2-4-13(17)9-15(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyRRKZPLPBBIGNQB-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.53
Rot. Bonds2

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

4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid (PubChem CID 103496467) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
PubChem CID103496467
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H14FNO2/c1-10-8-12(16(19)20)3-5-14(10)18-7-6-11-2-4-13(17)9-15(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyRRKZPLPBBIGNQB-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde
CID 103497669
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103497755
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 103496498
2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
CID 103497753
1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394
3-methyl-4-(4-methylpiperazin-1-yl)benzoic acid
CID 62121474
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid (CID 103496467) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1N1CCc2ccc(F)cc21.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid?
The InChIKey is RRKZPLPBBIGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-10-8-12(16(19)20)3-5-14(10)18-7-6-11-2-4-13(17)9-15(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid?
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid has a molecular weight of 271.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid is sourced from PubChem (CID 103496467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).