1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one

C15H21ClN2O — CID 63165105

IUPAC1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N1CCC(N(C)C)C1
InChIInChI=1S/C15H21ClN2O/c1-11(18-8-7-14(10-18)17(2)3)15(19)12-5-4-6-13(16)9-12/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyHJHHETAQHXQJOC-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one

1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 63165105) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID63165105
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N1CCC(N(C)C)C1
InChIInChI=1S/C15H21ClN2O/c1-11(18-8-7-14(10-18)17(2)3)15(19)12-5-4-6-13(16)9-12/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyHJHHETAQHXQJOC-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propan-1-one
CID 81474736
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one
CID 43796552
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-one
CID 102727237
1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164974
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one
CID 54980584
1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273630
1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
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1-(3-chlorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)propan-1-one
CID 107456879
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one (CID 63165105) is 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one is CC(C(=O)c1cccc(Cl)c1)N1CCC(N(C)C)C1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is HJHHETAQHXQJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(18-8-7-14(10-18)17(2)3)15(19)12-5-4-6-13(16)9-12/h4-6,9,11,14H,7-8,10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 280.80 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 63165105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).