2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide

C24H23ClN2O2 — CID 4582337

IUPAC2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCCc1ccccc1
InChIInChI=1S/C24H23ClN2O2/c25-21-11-5-4-9-18(21)20-15-24(29)27(22-12-6-10-19(20)22)16-23(28)26-14-13-17-7-2-1-3-8-17/h1-5,7-9,11,15H,6,10,12-14,16H2,(H,26,28)
InChIKeyIXTJZUUSSQCRBQ-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.02
Rot. Bonds6

About 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 4582337) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID4582337
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCCc1ccccc1
InChIInChI=1S/C24H23ClN2O2/c25-21-11-5-4-9-18(21)20-15-24(29)27(22-12-6-10-19(20)22)16-23(28)26-14-13-17-7-2-1-3-8-17/h1-5,7-9,11,15H,6,10,12-14,16H2,(H,26,28)
InChIKeyIXTJZUUSSQCRBQ-UHFFFAOYSA-N
XLogP4.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide (CID 4582337) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCCc1ccccc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is IXTJZUUSSQCRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c25-21-11-5-4-9-18(21)20-15-24(29)27(22-12-6-10-19(20)22)16-23(28)26-14-13-17-7-2-1-3-8-17/h1-5,7-9,11,15H,6,10,12-14,16H2,(H,26,28).
What are the key properties of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 406.91 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4582337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).