2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide

C16H24ClN3O — CID 115969183

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCC(C(C)N)C1)c1ccccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-11(18)13-7-8-20(9-13)10-16(21)19-12(2)14-5-3-4-6-15(14)17/h3-6,11-13H,7-10,18H2,1-2H3,(H,19,21)
InChIKeyLBXSNIMXSBCSPA-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.19
Rot. Bonds5

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide (PubChem CID 115969183) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
PubChem CID115969183
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCC(C(C)N)C1)c1ccccc1Cl
InChIInChI=1S/C16H24ClN3O/c1-11(18)13-7-8-20(9-13)10-16(21)19-12(2)14-5-3-4-6-15(14)17/h3-6,11-13H,7-10,18H2,1-2H3,(H,19,21)
InChIKeyLBXSNIMXSBCSPA-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 115969224
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916680
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95611859
N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
CID 60537959
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 120771608
N-[1-(2-chlorophenyl)ethyl]-2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetamide
CID 60503652
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 98798824

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide (CID 115969183) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide is CC(NC(=O)CN1CCC(C(C)N)C1)c1ccccc1Cl.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide?
The InChIKey is LBXSNIMXSBCSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(18)13-7-8-20(9-13)10-16(21)19-12(2)14-5-3-4-6-15(14)17/h3-6,11-13H,7-10,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide has a molecular weight of 309.84 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 115969183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).