1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid

C17H14FNO3 — CID 43825942

IUPAC1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1ccc(C(=O)N2c3ccccc3CC2C(=O)O)cc1F
InChIInChI=1S/C17H14FNO3/c1-10-6-7-12(8-13(10)18)16(20)19-14-5-3-2-4-11(14)9-15(19)17(21)22/h2-8,15H,9H2,1H3,(H,21,22)
InChIKeyPNZOINUKBKLCLD-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.79
Rot. Bonds2

About 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid

1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43825942) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID43825942
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1ccc(C(=O)N2c3ccccc3CC2C(=O)O)cc1F
InChIInChI=1S/C17H14FNO3/c1-10-6-7-12(8-13(10)18)16(20)19-14-5-3-2-4-11(14)9-15(19)17(21)22/h2-8,15H,9H2,1H3,(H,21,22)
InChIKeyPNZOINUKBKLCLD-UHFFFAOYSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114818785
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868
1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196856
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879
(2S)-1-(6-chloropyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61144897
(2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 66126249

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid (CID 43825942) is 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid is Cc1ccc(C(=O)N2c3ccccc3CC2C(=O)O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is PNZOINUKBKLCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-10-6-7-12(8-13(10)18)16(20)19-14-5-3-2-4-11(14)9-15(19)17(21)22/h2-8,15H,9H2,1H3,(H,21,22).
What are the key properties of 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid?
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 299.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43825942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).