5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid

C22H22ClNO3 — CID 68666798

IUPAC5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1)C1CCCC1
InChIInChI=1S/C22H22ClNO3/c23-19-9-7-14(8-10-19)16-5-6-17-12-22(21(26)27,13-18(17)11-16)24-20(25)15-3-1-2-4-15/h5-11,15H,1-4,12-13H2,(H,24,25)(H,26,27)
InChIKeyHXGJZPMJJXVLAS-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.24
Rot. Bonds4

About 5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid

5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 68666798) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID68666798
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1)C1CCCC1
InChIInChI=1S/C22H22ClNO3/c23-19-9-7-14(8-10-19)16-5-6-17-12-22(21(26)27,13-18(17)11-16)24-20(25)15-3-1-2-4-15/h5-11,15H,1-4,12-13H2,(H,24,25)(H,26,27)
InChIKeyHXGJZPMJJXVLAS-UHFFFAOYSA-N
XLogP4.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.24
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-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 68666798) is 5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1)C1CCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is HXGJZPMJJXVLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c23-19-9-7-14(8-10-19)16-5-6-17-12-22(21(26)27,13-18(17)11-16)24-20(25)15-3-1-2-4-15/h5-11,15H,1-4,12-13H2,(H,24,25)(H,26,27).
What are the key properties of 5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid?
5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 383.88 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(cyclopentanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 68666798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).