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

C23H20ClFN2O2 — CID 4582949

IUPAC2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCc1ccc(F)cc1
InChIInChI=1S/C23H20ClFN2O2/c24-20-6-2-1-4-17(20)19-12-23(29)27(21-7-3-5-18(19)21)14-22(28)26-13-15-8-10-16(25)11-9-15/h1-2,4,6,8-12H,3,5,7,13-14H2,(H,26,28)
InChIKeyYGTMMOGSGMTMGT-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.11
Rot. Bonds5

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

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4582949) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4582949
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCc1ccc(F)cc1
InChIInChI=1S/C23H20ClFN2O2/c24-20-6-2-1-4-17(20)19-12-23(29)27(21-7-3-5-18(19)21)14-22(28)26-13-15-8-10-16(25)11-9-15/h1-2,4,6,8-12H,3,5,7,13-14H2,(H,26,28)
InChIKeyYGTMMOGSGMTMGT-UHFFFAOYSA-N
XLogP4.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.11
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-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 4582949) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YGTMMOGSGMTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c24-20-6-2-1-4-17(20)19-12-23(29)27(21-7-3-5-18(19)21)14-22(28)26-13-15-8-10-16(25)11-9-15/h1-2,4,6,8-12H,3,5,7,13-14H2,(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-[(4-fluorophenyl)methyl]acetamide?
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 410.88 g/mol, XLogP of 4.11, 5 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4582949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).