2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

C15H19Cl2NO — CID 106982262

IUPAC2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)Cc2cc(Cl)ccc2Cl)CCNC1
InChIInChI=1S/C15H19Cl2NO/c1-10(2)15(5-6-18-9-15)14(19)8-11-7-12(16)3-4-13(11)17/h3-4,7,10,18H,5-6,8-9H2,1-2H3
InChIKeyNBSCBKWFBMPJMG-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.74
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 106982262) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
PubChem CID106982262
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)Cc2cc(Cl)ccc2Cl)CCNC1
InChIInChI=1S/C15H19Cl2NO/c1-10(2)15(5-6-18-9-15)14(19)8-11-7-12(16)3-4-13(11)17/h3-4,7,10,18H,5-6,8-9H2,1-2H3
InChIKeyNBSCBKWFBMPJMG-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982096
2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982093
2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982052
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone
CID 114973866
2-(4-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982280
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982360
(3-chlorophenyl)methyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983587
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982279
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 106982175

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (CID 106982262) is 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is CC(C)C1(C(=O)Cc2cc(Cl)ccc2Cl)CCNC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is NBSCBKWFBMPJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-10(2)15(5-6-18-9-15)14(19)8-11-7-12(16)3-4-13(11)17/h3-4,7,10,18H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 300.23 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 106982262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).