(2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid

C19H12FNO3 — CID 175571252

IUPAC(2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)[C@]1(c2cccc(F)c2)Nc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C19H12FNO3/c20-13-6-3-5-12(10-13)19(18(23)24)17(22)15-9-8-11-4-1-2-7-14(11)16(15)21-19/h1-10,21H,(H,23,24)/t19-/m1/s1
InChIKeyDWYLWJUMSBMNAB-LJQANCHMSA-N
MW321.31 g/mol
LogP3.57
Rot. Bonds2

About (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid

(2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid (PubChem CID 175571252) has the molecular formula C19H12FNO3 and a molecular weight of 321.31 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid
PubChem CID175571252
Molecular FormulaC19H12FNO3
Molecular Weight321.31 g/mol
Exact Mass321.08
IUPAC Name(2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)[C@]1(c2cccc(F)c2)Nc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C19H12FNO3/c20-13-6-3-5-12(10-13)19(18(23)24)17(22)15-9-8-11-4-1-2-7-14(11)16(15)21-19/h1-10,21H,(H,23,24)/t19-/m1/s1
InChIKeyDWYLWJUMSBMNAB-LJQANCHMSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid?
The IUPAC name of (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid (CID 175571252) is (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid is O=C(O)[C@]1(c2cccc(F)c2)Nc2c(ccc3ccccc23)C1=O.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid?
The InChIKey is DWYLWJUMSBMNAB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H12FNO3/c20-13-6-3-5-12(10-13)19(18(23)24)17(22)15-9-8-11-4-1-2-7-14(11)16(15)21-19/h1-10,21H,(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid?
(2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid has a molecular weight of 321.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid is sourced from PubChem (CID 175571252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).