5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

C30H24ClNO3 — CID 59335839

IUPAC5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C30H24ClNO3/c31-27-14-12-23(13-15-27)24-10-11-25-18-30(29(34)35,19-26(25)17-24)32-28(33)16-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-15,17H,16,18-19H2,(H,32,33)(H,34,35)
InChIKeyOVVJBYCRERJSTK-UHFFFAOYSA-N
MW481.98 g/mol
LogP5.95
Rot. Bonds6

About 5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335839) has the molecular formula C30H24ClNO3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59335839
Molecular FormulaC30H24ClNO3
Molecular Weight481.98 g/mol
Exact Mass481.14
IUPAC Name5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C30H24ClNO3/c31-27-14-12-23(13-15-27)24-10-11-25-18-30(29(34)35,19-26(25)17-24)32-28(33)16-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-15,17H,16,18-19H2,(H,32,33)(H,34,35)
InChIKeyOVVJBYCRERJSTK-UHFFFAOYSA-N
XLogP5.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.98
LogP ≤ 55.95
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-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 59335839) is 5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is O=C(Cc1ccc(-c2ccccc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is OVVJBYCRERJSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClNO3/c31-27-14-12-23(13-15-27)24-10-11-25-18-30(29(34)35,19-26(25)17-24)32-28(33)16-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-15,17H,16,18-19H2,(H,32,33)(H,34,35).
What are the key properties of 5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
5-(4-chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 481.98 g/mol, XLogP of 5.95, 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-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).