1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid

C16H12FNO3 — CID 90488088

IUPAC1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3/c17-11-6-4-10(5-7-11)15(19)18-9-8-12-13(16(20)21)2-1-3-14(12)18/h1-7H,8-9H2,(H,20,21)
InChIKeyDLSMWCKVTJKSNY-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.73
Rot. Bonds2

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

1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid (PubChem CID 90488088) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid
PubChem CID90488088
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3/c17-11-6-4-10(5-7-11)15(19)18-9-8-12-13(16(20)21)2-1-3-14(12)18/h1-7H,8-9H2,(H,20,21)
InChIKeyDLSMWCKVTJKSNY-UHFFFAOYSA-N
XLogP2.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid (CID 90488088) is 1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid is O=C(O)c1cccc2c1CCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid?
The InChIKey is DLSMWCKVTJKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-11-6-4-10(5-7-11)15(19)18-9-8-12-13(16(20)21)2-1-3-14(12)18/h1-7H,8-9H2,(H,20,21).
What are the key properties of 1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid?
1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid has a molecular weight of 285.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxylic acid is sourced from PubChem (CID 90488088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).