5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid

C25H21ClFNO3 — CID 59335751

IUPAC5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(CCc1ccc(F)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C25H21ClFNO3/c26-21-8-6-17(7-9-21)18-4-5-19-14-25(24(30)31,15-20(19)13-18)28-23(29)12-3-16-1-10-22(27)11-2-16/h1-2,4-11,13H,3,12,14-15H2,(H,28,29)(H,30,31)
InChIKeyCLABPNDKIOQELV-UHFFFAOYSA-N
MW437.90 g/mol
LogP4.82
Rot. Bonds6

About 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid

5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335751) has the molecular formula C25H21ClFNO3 and a molecular weight of 437.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59335751
Molecular FormulaC25H21ClFNO3
Molecular Weight437.90 g/mol
Exact Mass437.12
IUPAC Name5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(CCc1ccc(F)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C25H21ClFNO3/c26-21-8-6-17(7-9-21)18-4-5-19-14-25(24(30)31,15-20(19)13-18)28-23(29)12-3-16-1-10-22(27)11-2-16/h1-2,4-11,13H,3,12,14-15H2,(H,28,29)(H,30,31)
InChIKeyCLABPNDKIOQELV-UHFFFAOYSA-N
XLogP4.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid (CID 59335751) is 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid is O=C(CCc1ccc(F)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is CLABPNDKIOQELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFNO3/c26-21-8-6-17(7-9-21)18-4-5-19-14-25(24(30)31,15-20(19)13-18)28-23(29)12-3-16-1-10-22(27)11-2-16/h1-2,4-11,13H,3,12,14-15H2,(H,28,29)(H,30,31).
What are the key properties of 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid?
5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 437.90 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).