2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone

C13H15ClFNO — CID 102622142

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2cc(F)ccc2Cl)CCCN1
InChIInChI=1S/C13H15ClFNO/c1-13(5-2-6-16-13)12(17)8-9-7-10(15)3-4-11(9)14/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyIODGWPFFOMTJEF-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.73
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone

2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone (PubChem CID 102622142) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
PubChem CID102622142
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2cc(F)ccc2Cl)CCCN1
InChIInChI=1S/C13H15ClFNO/c1-13(5-2-6-16-13)12(17)8-9-7-10(15)3-4-11(9)14/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyIODGWPFFOMTJEF-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 102619043
2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580447
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116580409
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580394
1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 102616851
2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580591
1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116614195
N-(4-fluoro-2-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 104596685
2-[(2-chloro-5-fluorophenyl)methyl]-2-propylazepane
CID 102619096

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone (CID 102622142) is 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone is CC1(C(=O)Cc2cc(F)ccc2Cl)CCCN1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The InChIKey is IODGWPFFOMTJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-13(5-2-6-16-13)12(17)8-9-7-10(15)3-4-11(9)14/h3-4,7,16H,2,5-6,8H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone?
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone has a molecular weight of 255.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 102622142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).