2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one

C16H23ClN2O — CID 115576764

IUPAC2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC(NC(C)C(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-3-15(13-6-8-14(17)9-7-13)18-12(2)16(20)19-10-4-5-11-19/h6-9,12,15,18H,3-5,10-11H2,1-2H3
InChIKeyMTBAHYTUXCKJTE-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115576764) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115576764
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC(NC(C)C(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-3-15(13-6-8-14(17)9-7-13)18-12(2)16(20)19-10-4-5-11-19/h6-9,12,15,18H,3-5,10-11H2,1-2H3
InChIKeyMTBAHYTUXCKJTE-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one
CID 60930878
2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
CID 43402967
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8636388
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8607880
2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112811643
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963
1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347605
2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione
CID 102277832
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8727652

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 115576764) is 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one is CCC(NC(C)C(=O)N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MTBAHYTUXCKJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-15(13-6-8-14(17)9-7-13)18-12(2)16(20)19-10-4-5-11-19/h6-9,12,15,18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 294.83 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115576764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).