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

C22H19ClFN3O — CID 90338544

IUPAC2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cc(F)cc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C22H19ClFN3O/c23-15-9-14(10-16(24)11-15)20-12-21(18-2-1-3-19(18)27-20)26-17-6-4-13(5-7-17)8-22(25)28/h4-7,9-12H,1-3,8H2,(H2,25,28)(H,26,27)
InChIKeyFFUBQBHRWDLWRT-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.80
Rot. Bonds5

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

2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide (PubChem CID 90338544) has the molecular formula C22H19ClFN3O and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
PubChem CID90338544
Molecular FormulaC22H19ClFN3O
Molecular Weight395.87 g/mol
Exact Mass395.12
IUPAC Name2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cc(F)cc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C22H19ClFN3O/c23-15-9-14(10-16(24)11-15)20-12-21(18-2-1-3-19(18)27-20)26-17-6-4-13(5-7-17)8-22(25)28/h4-7,9-12H,1-3,8H2,(H2,25,28)(H,26,27)
InChIKeyFFUBQBHRWDLWRT-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

Analyze 2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

2-(3-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one
CID 389012
2-[4-[[2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetic acid
CID 74220843
2-(4-((2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino)phenyl)acetamide
CID 74220906
3-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]propanamide
CID 90110531
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N,N-dimethylacetamide
CID 90338526
2-(4-((2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)methyl)phenyl)acetamide
CID 90338579
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenyl]acetamide
CID 118037253
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N-methylacetamide
CID 118037440
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)amino)phenyl)acetamide
CID 90112434
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)methyl)phenyl)acetamide
CID 90113020
US11401286, Example 113
CID 90338470
US11401286, Example 150
CID 90338477

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide (CID 90338544) is 2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2cc(-c3cc(F)cc(Cl)c3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
The InChIKey is FFUBQBHRWDLWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O/c23-15-9-14(10-16(24)11-15)20-12-21(18-2-1-3-19(18)27-20)26-17-6-4-13(5-7-17)8-22(25)28/h4-7,9-12H,1-3,8H2,(H2,25,28)(H,26,27).
What are the key properties of 2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide?
2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]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-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 90338544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).