2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide

C15H20ClN3O — CID 115559008

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
SMILESNc1ccc(NC(=O)CN2CC3CCCC3C2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c16-13-6-12(17)4-5-14(13)18-15(20)9-19-7-10-2-1-3-11(10)8-19/h4-6,10-11H,1-3,7-9,17H2,(H,18,20)
InChIKeyFROYWPMOFJNBAE-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.59
Rot. Bonds3

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide (PubChem CID 115559008) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
PubChem CID115559008
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
SMILESNc1ccc(NC(=O)CN2CC3CCCC3C2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c16-13-6-12(17)4-5-14(13)18-15(20)9-19-7-10-2-1-3-11(10)8-19/h4-6,10-11H,1-3,7-9,17H2,(H,18,20)
InChIKeyFROYWPMOFJNBAE-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
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CID 103531130
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-chloro-4-nitrophenyl)acetamide
CID 11940822
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
CID 162243839
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(4-amino-2-chlorophenyl)-2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetamide
CID 64837547
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-chloro-4-fluorophenyl)acetamide
CID 60972510

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide (CID 115559008) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide is Nc1ccc(NC(=O)CN2CC3CCCC3C2)c(Cl)c1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide?
The InChIKey is FROYWPMOFJNBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-13-6-12(17)4-5-14(13)18-15(20)9-19-7-10-2-1-3-11(10)8-19/h4-6,10-11H,1-3,7-9,17H2,(H,18,20).
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide has a molecular weight of 293.80 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide is sourced from PubChem (CID 115559008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).