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

C16H14FNO2 — CID 103496508

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
SMILESCc1cc(N2CCc3ccc(F)cc32)ccc1C(=O)O
InChIInChI=1S/C16H14FNO2/c1-10-8-13(4-5-14(10)16(19)20)18-7-6-11-2-3-12(17)9-15(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyPKGGMXUQMPLREZ-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.53
Rot. Bonds2

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

4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid (PubChem CID 103496508) 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)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
PubChem CID103496508
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
SMILESCc1cc(N2CCc3ccc(F)cc32)ccc1C(=O)O
InChIInChI=1S/C16H14FNO2/c1-10-8-13(4-5-14(10)16(19)20)18-7-6-11-2-3-12(17)9-15(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyPKGGMXUQMPLREZ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 107282369
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
CID 62136292
4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103497755
4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
CID 103497753
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
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
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbenzoic acid;methanethioamide
CID 177332519
2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
CID 103496794

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid (CID 103496508) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid is Cc1cc(N2CCc3ccc(F)cc32)ccc1C(=O)O.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid?
The InChIKey is PKGGMXUQMPLREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-10-8-13(4-5-14(10)16(19)20)18-7-6-11-2-3-12(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)-2-methylbenzoic acid?
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-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)-2-methylbenzoic acid is sourced from PubChem (CID 103496508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).