2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide

C21H30ClN3O — CID 119849478

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C21H30ClN3O/c22-17-5-3-4-16(13-17)20(25-8-1-2-9-25)14-23-21(26)12-15-10-18-6-7-19(11-15)24-18/h3-5,13,15,18-20,24H,1-2,6-12,14H2,(H,23,26)
InChIKeyHUQBQHIKKLKRLK-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.51
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 119849478) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID119849478
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C21H30ClN3O/c22-17-5-3-4-16(13-17)20(25-8-1-2-9-25)14-23-21(26)12-15-10-18-6-7-19(11-15)24-18/h3-5,13,15,18-20,24H,1-2,6-12,14H2,(H,23,26)
InChIKeyHUQBQHIKKLKRLK-UHFFFAOYSA-N
XLogP3.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
CID 119768757
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119875158
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506807
(3R)-3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(3-chlorophenyl)propanamide
CID 119819997
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea
CID 51959661
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide
CID 55674436
(1R,2S,4R)-N-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129425788
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852828

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 119849478) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCC(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is HUQBQHIKKLKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/c22-17-5-3-4-16(13-17)20(25-8-1-2-9-25)14-23-21(26)12-15-10-18-6-7-19(11-15)24-18/h3-5,13,15,18-20,24H,1-2,6-12,14H2,(H,23,26).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 375.94 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 119849478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).