1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid

C16H13ClFNO2 — CID 116531273

IUPAC1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Cl)CCc2cc(F)ccc21
InChIInChI=1S/C16H13ClFNO2/c17-13-3-1-2-4-14(13)19-16(15(20)21)8-7-10-9-11(18)5-6-12(10)16/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyKTEYOYOLFRBSJZ-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.82
Rot. Bonds3

About 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid

1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid (PubChem CID 116531273) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid
PubChem CID116531273
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Cl)CCc2cc(F)ccc21
InChIInChI=1S/C16H13ClFNO2/c17-13-3-1-2-4-14(13)19-16(15(20)21)8-7-10-9-11(18)5-6-12(10)16/h1-6,9,19H,7-8H2,(H,20,21)
InChIKeyKTEYOYOLFRBSJZ-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid (CID 116531273) is 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(Nc2ccccc2Cl)CCc2cc(F)ccc21.
What is the InChIKey of 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is KTEYOYOLFRBSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-13-3-1-2-4-14(13)19-16(15(20)21)8-7-10-9-11(18)5-6-12(10)16/h1-6,9,19H,7-8H2,(H,20,21).
What are the key properties of 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid?
1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 305.74 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 116531273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).