1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

C16H21Cl2NO2 — CID 62467958

IUPAC1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N1CCCC1CCCO
InChIInChI=1S/C16H21Cl2NO2/c1-11(19-8-2-4-13(19)5-3-9-20)16(21)14-7-6-12(17)10-15(14)18/h6-7,10-11,13,20H,2-5,8-9H2,1H3
InChIKeyQWDATKDTORDEMO-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.80
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 62467958) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
PubChem CID62467958
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N1CCCC1CCCO
InChIInChI=1S/C16H21Cl2NO2/c1-11(19-8-2-4-13(19)5-3-9-20)16(21)14-7-6-12(17)10-15(14)18/h6-7,10-11,13,20H,2-5,8-9H2,1H3
InChIKeyQWDATKDTORDEMO-UHFFFAOYSA-N
XLogP3.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
CID 62037868
(2-bromo-4-chlorophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932949
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 62469251
1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114679261
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102884663
3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 62469479
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 62469409
2-(4-chlorophenyl)sulfanyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469335

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (CID 62467958) is 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is CC(C(=O)c1ccc(Cl)cc1Cl)N1CCCC1CCCO.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QWDATKDTORDEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-11(19-8-2-4-13(19)5-3-9-20)16(21)14-7-6-12(17)10-15(14)18/h6-7,10-11,13,20H,2-5,8-9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 330.25 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 62467958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).