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

C23H20Cl2N2O2 — CID 4582952

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCc1ccccc1Cl
InChIInChI=1S/C23H20Cl2N2O2/c24-19-9-3-1-6-15(19)13-26-22(28)14-27-21-11-5-8-17(21)18(12-23(27)29)16-7-2-4-10-20(16)25/h1-4,6-7,9-10,12H,5,8,11,13-14H2,(H,26,28)
InChIKeyMUPXEXLJDJOBBA-UHFFFAOYSA-N
MW427.33 g/mol
LogP4.63
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide (PubChem CID 4582952) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
PubChem CID4582952
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCc1ccccc1Cl
InChIInChI=1S/C23H20Cl2N2O2/c24-19-9-3-1-6-15(19)13-26-22(28)14-27-21-11-5-8-17(21)18(12-23(27)29)16-7-2-4-10-20(16)25/h1-4,6-7,9-10,12H,5,8,11,13-14H2,(H,26,28)
InChIKeyMUPXEXLJDJOBBA-UHFFFAOYSA-N
XLogP4.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ambenonium Chloride
CID 8288
Ambenonium
CID 2131
Ammonium, (oxalylbis(iminoethylene))bis((o-chlorobenzyl)dimethyl-, dichloride
CID 24833568
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 4879874
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
2(1H)-Pyridinone, 3-(((2-chlorophenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454354
2-(3-benzylamino-2-oxo-1,2-dihydropyridin-1-yl)-N-(3,4-dichlorobenzyl)acetamide
CID 44241632
1-Benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 1450078
1-[1-[(2-Chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
CID 1450126
1-[1-[(2-Chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(phenylmethyl)urea
CID 1450131

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide (CID 4582952) is N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide is O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide?
The InChIKey is MUPXEXLJDJOBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c24-19-9-3-1-6-15(19)13-26-22(28)14-27-21-11-5-8-17(21)18(12-23(27)29)16-7-2-4-10-20(16)25/h1-4,6-7,9-10,12H,5,8,11,13-14H2,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide has a molecular weight of 427.33 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide is sourced from PubChem (CID 4582952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).