2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide

C22H19ClFN3O — CID 90338538

IUPAC2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1F
InChIInChI=1S/C22H19ClFN3O/c23-15-4-1-3-14(9-15)20-12-21(17-5-2-6-19(17)27-20)26-16-8-7-13(10-22(25)28)18(24)11-16/h1,3-4,7-9,11-12H,2,5-6,10H2,(H2,25,28)(H,26,27)
InChIKeyISGVCZVZRAQHTK-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.80
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide

2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide (PubChem CID 90338538) has the molecular formula C22H19ClFN3O and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide
PubChem CID90338538
Molecular FormulaC22H19ClFN3O
Molecular Weight395.87 g/mol
Exact Mass395.12
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1F
InChIInChI=1S/C22H19ClFN3O/c23-15-4-1-3-14(9-15)20-12-21(17-5-2-6-19(17)27-20)26-16-8-7-13(10-22(25)28)18(24)11-16/h1,3-4,7-9,11-12H,2,5-6,10H2,(H2,25,28)(H,26,27)
InChIKeyISGVCZVZRAQHTK-UHFFFAOYSA-N
XLogP4.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide (CID 90338538) is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide is NC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1F.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide?
The InChIKey is ISGVCZVZRAQHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O/c23-15-4-1-3-14(9-15)20-12-21(17-5-2-6-19(17)27-20)26-16-8-7-13(10-22(25)28)18(24)11-16/h1,3-4,7-9,11-12H,2,5-6,10H2,(H2,25,28)(H,26,27).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide?
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide has a molecular weight of 395.87 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 90338538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).