2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

C22H18ClF3N2 — CID 118037062

IUPAC2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESFC(F)(F)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C22H18ClF3N2/c23-16-4-1-3-15(11-16)20-12-21(18-5-2-6-19(18)28-20)27-17-9-7-14(8-10-17)13-22(24,25)26/h1,3-4,7-12H,2,5-6,13H2,(H,27,28)
InChIKeyZHSQOZBHKQTKRQ-UHFFFAOYSA-N
MW402.85 g/mol
LogP6.74
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (PubChem CID 118037062) has the molecular formula C22H18ClF3N2 and a molecular weight of 402.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
PubChem CID118037062
Molecular FormulaC22H18ClF3N2
Molecular Weight402.85 g/mol
Exact Mass402.11
IUPAC Name2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESFC(F)(F)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C22H18ClF3N2/c23-16-4-1-3-15(11-16)20-12-21(18-5-2-6-19(18)28-20)27-17-9-7-14(8-10-17)13-22(24,25)26/h1,3-4,7-12H,2,5-6,13H2,(H,27,28)
InChIKeyZHSQOZBHKQTKRQ-UHFFFAOYSA-N
XLogP6.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.85
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine with MolForge

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Related Compounds

2-(4-((2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino)phenyl)acetamide
CID 74220906
2-[4-[[2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol
CID 74220907
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]-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
7-chloro-N-(2,5-difluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 16009527
3-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)amino)phenyl)propan-1-ol
CID 90109450
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)amino)phenyl)ethanol
CID 90112745
US11401286, Example 113
CID 90338470
US11401286, Example 150
CID 90338477

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (CID 118037062) is 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is FC(F)(F)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The InChIKey is ZHSQOZBHKQTKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2/c23-16-4-1-3-15(11-16)20-12-21(18-5-2-6-19(18)28-20)27-17-9-7-14(8-10-17)13-22(24,25)26/h1,3-4,7-12H,2,5-6,13H2,(H,27,28).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine has a molecular weight of 402.85 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 118037062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).