1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one

C17H25ClN2O — CID 63165624

IUPAC1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCCN(CC)C1CCN(CCC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-3-20(4-2)16-9-11-19(13-16)12-10-17(21)14-5-7-15(18)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyNUJDWAXVKWSSQI-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.33
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one

1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 63165624) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID63165624
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCCN(CC)C1CCN(CCC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-3-20(4-2)16-9-11-19(13-16)12-10-17(21)14-5-7-15(18)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyNUJDWAXVKWSSQI-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63169034
1-(4-chlorophenyl)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79164094
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
2-[3-(diethylamino)pyrrolidin-1-yl]-1-(3,4-dimethylphenyl)ethanone
CID 63164662
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
1-(4-chlorophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 62619364
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
1-(4-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 63002754
1-(4-methylphenyl)-3-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810
N-(3-aminopropyl)-3-[3-(diethylamino)pyrrolidin-1-yl]-N-methylpropanamide
CID 63172162
3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide
CID 63169620
1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one
CID 19905279

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one (CID 63165624) is 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one is CCN(CC)C1CCN(CCC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is NUJDWAXVKWSSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-20(4-2)16-9-11-19(13-16)12-10-17(21)14-5-7-15(18)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one?
1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 308.85 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 63165624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).