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

C23H21Cl2FN2O — CID 158675089

IUPAC2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride
SMILESCl.NC(=O)Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1F
InChIInChI=1S/C23H20ClFN2O.ClH/c24-18-4-1-3-16(11-18)22-12-17(19-5-2-6-21(19)27-22)9-14-7-8-15(13-23(26)28)20(25)10-14;/h1,3-4,7-8,10-12H,2,5-6,9,13H2,(H2,26,28);1H
InChIKeyOPBDFBIPHPKQSV-UHFFFAOYSA-N
MW431.34 g/mol
LogP5.07
Rot. Bonds5

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

2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride (PubChem CID 158675089) has the molecular formula C23H21Cl2FN2O and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride
PubChem CID158675089
Molecular FormulaC23H21Cl2FN2O
Molecular Weight431.34 g/mol
Exact Mass430.10
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride
SMILESCl.NC(=O)Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1F
InChIInChI=1S/C23H20ClFN2O.ClH/c24-18-4-1-3-16(11-18)22-12-17(19-5-2-6-21(19)27-22)9-14-7-8-15(13-23(26)28)20(25)10-14;/h1,3-4,7-8,10-12H,2,5-6,9,13H2,(H2,26,28);1H
InChIKeyOPBDFBIPHPKQSV-UHFFFAOYSA-N
XLogP5.07
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride with MolForge

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Related Compounds

methyl 4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]benzoate;hydrochloride
CID 159596067
2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 149020566
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenyl]acetamide
CID 118037253
2-[4-[[2-(3-chloro-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]phenyl]ethanol;hydrochloride
CID 159784982
4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90110675
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide
CID 163659362
3-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]propan-1-ol;hydrochloride
CID 118037249
2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide
CID 158080417
2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 131966721
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide
CID 163994704
methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate
CID 90338521
methyl 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenoxy]acetate
CID 90112439

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride (CID 158675089) is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride is Cl.NC(=O)Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1F.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride?
The InChIKey is OPBDFBIPHPKQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O.ClH/c24-18-4-1-3-16(11-18)22-12-17(19-5-2-6-21(19)27-22)9-14-7-8-15(13-23(26)28)20(25)10-14;/h1,3-4,7-8,10-12H,2,5-6,9,13H2,(H2,26,28);1H.
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride?
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride has a molecular weight of 431.34 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 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]methyl]-2-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 158675089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).