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

C25H23ClN2O3 — CID 59335847

IUPAC2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid
SMILESNC(Cc1ccccc1)C(=O)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C25H23ClN2O3/c26-21-10-8-17(9-11-21)18-6-7-19-14-25(24(30)31,15-20(19)13-18)28-23(29)22(27)12-16-4-2-1-3-5-16/h1-11,13,22H,12,14-15,27H2,(H,28,29)(H,30,31)
InChIKeyXGPYSTSLXUZXEE-UHFFFAOYSA-N
MW434.92 g/mol
LogP3.62
Rot. Bonds6

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

2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335847) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID59335847
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid
SMILESNC(Cc1ccccc1)C(=O)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C25H23ClN2O3/c26-21-10-8-17(9-11-21)18-6-7-19-14-25(24(30)31,15-20(19)13-18)28-23(29)22(27)12-16-4-2-1-3-5-16/h1-11,13,22H,12,14-15,27H2,(H,28,29)(H,30,31)
InChIKeyXGPYSTSLXUZXEE-UHFFFAOYSA-N
XLogP3.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid (CID 59335847) is 2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid is NC(Cc1ccccc1)C(=O)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1.
What is the InChIKey of 2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is XGPYSTSLXUZXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c26-21-10-8-17(9-11-21)18-6-7-19-14-25(24(30)31,15-20(19)13-18)28-23(29)22(27)12-16-4-2-1-3-5-16/h1-11,13,22H,12,14-15,27H2,(H,28,29)(H,30,31).
What are the key properties of 2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid?
2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 434.92 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).