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

C24H20ClNO4 — CID 59335739

IUPAC5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-20-10-8-15(9-11-20)17-6-7-18-13-24(23(29)30,14-19(18)12-17)26-22(28)21(27)16-4-2-1-3-5-16/h1-12,21,27H,13-14H2,(H,26,28)(H,29,30)/t21-,24?/m0/s1
InChIKeyNOHBCOSQTPUMTG-XEGCMXMBSA-N
MW421.88 g/mol
LogP3.78
Rot. Bonds5

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

5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335739) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59335739
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-20-10-8-15(9-11-20)17-6-7-18-13-24(23(29)30,14-19(18)12-17)26-22(28)21(27)16-4-2-1-3-5-16/h1-12,21,27H,13-14H2,(H,26,28)(H,29,30)/t21-,24?/m0/s1
InChIKeyNOHBCOSQTPUMTG-XEGCMXMBSA-N
XLogP3.78
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenyl)-2-[3-(4-fluorophenyl)propanoylamino]-1,3-dihydroindene-2-carboxylic acid
CID 59335751
5-(4-Chlorophenyl)-2-(2-phenylpropanoylamino)-1,3-dihydroindene-2-carboxylic acid
CID 59335649
5-(4-Chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335650
5-(4-Chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335671
5-(4-Chlorophenyl)-2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335769
5-(4-Chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335821
5-(4-Chlorophenyl)-2-[[2-(4-phenylphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335839
2-[(2-Amino-3-phenylpropanoyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylic acid
CID 59335847
ethyl 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68666733
Ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68666782
5-(4-Chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 68666798
Ethyl 5-(4-chlorophenyl)-2-(2-phenylpropanoylamino)-1,3-dihydroindene-2-carboxylate
CID 68666825

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 59335739) is 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1)[C@@H](O)c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is NOHBCOSQTPUMTG-XEGCMXMBSA-N. The full InChI is InChI=1S/C24H20ClNO4/c25-20-10-8-15(9-11-20)17-6-7-18-13-24(23(29)30,14-19(18)12-17)26-22(28)21(27)16-4-2-1-3-5-16/h1-12,21,27H,13-14H2,(H,26,28)(H,29,30)/t21-,24?/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 421.88 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).