2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one

C14H17Cl2NO2 — CID 17376907

IUPAC2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-14(2,13(18)17-7-3-4-8-17)19-12-6-5-10(15)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyINOPPHXJVGPCCL-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.77
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one

2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 17376907) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID17376907
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-14(2,13(18)17-7-3-4-8-17)19-12-6-5-10(15)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyINOPPHXJVGPCCL-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958896
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
1-[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807318
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
N-[(2,4-dichlorophenoxy)methyl]piperidine-1-carboxamide
CID 108880950
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
2-(2,4-dichlorophenoxy)propan-2-amine
CID 56841846
tert-butyl 4-[[2-(2,4-dichlorophenoxy)-2-methylpropanoyl]amino]-4-isocyanopiperidine-1-carboxylate
CID 123392006
2-(4-chloro-2-fluorophenoxy)-1-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 155332826
2-(2,4-dichlorophenoxy)-N-(pyrrolidine-1-carbothioyl)propanamide
CID 5191764
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533425
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 17376907) is 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one is CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is INOPPHXJVGPCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-14(2,13(18)17-7-3-4-8-17)19-12-6-5-10(15)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 302.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 17376907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).