2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone

C14H17ClFNO — CID 116570337

IUPAC2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2ccc(F)cc2Cl)CCNC1
InChIInChI=1S/C14H17ClFNO/c1-2-14(5-6-17-9-14)13(18)7-10-3-4-11(16)8-12(10)15/h3-4,8,17H,2,5-7,9H2,1H3
InChIKeyJHLDZCOETAGMTD-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.98
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone (PubChem CID 116570337) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
PubChem CID116570337
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2ccc(F)cc2Cl)CCNC1
InChIInChI=1S/C14H17ClFNO/c1-2-14(5-6-17-9-14)13(18)7-10-3-4-11(16)8-12(10)15/h3-4,8,17H,2,5-7,9H2,1H3
InChIKeyJHLDZCOETAGMTD-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
1-[1-(aminomethyl)cycloheptyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116602151
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503
1-(3-ethylpyrrolidin-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116570400
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 55177203
2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 114350405
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
N-[(2,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128461
2-(2-chloro-4-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750372
1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
CID 116570374
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568586

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone (CID 116570337) is 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone is CCC1(C(=O)Cc2ccc(F)cc2Cl)CCNC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
The InChIKey is JHLDZCOETAGMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-2-14(5-6-17-9-14)13(18)7-10-3-4-11(16)8-12(10)15/h3-4,8,17H,2,5-7,9H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone has a molecular weight of 269.75 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).