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

C15H19ClFNO — CID 106976614

IUPAC2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccc(F)c(Cl)c2)CCCN1
InChIInChI=1S/C15H19ClFNO/c1-2-6-15(7-3-8-18-15)14(19)10-11-4-5-13(17)12(16)9-11/h4-5,9,18H,2-3,6-8,10H2,1H3
InChIKeySCQWLURQSKHAIK-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.51
Rot. Bonds5

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

2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone (PubChem CID 106976614) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
PubChem CID106976614
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccc(F)c(Cl)c2)CCCN1
InChIInChI=1S/C15H19ClFNO/c1-2-6-15(7-3-8-18-15)14(19)10-11-4-5-13(17)12(16)9-11/h4-5,9,18H,2-3,6-8,10H2,1H3
InChIKeySCQWLURQSKHAIK-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976775
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976659
N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974134
N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974072
(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976650
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
2-(4-bromothiophen-2-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976816
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
(2S)-2-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 7145473

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone (CID 106976614) is 2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone is CCCC1(C(=O)Cc2ccc(F)c(Cl)c2)CCCN1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The InChIKey is SCQWLURQSKHAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-2-6-15(7-3-8-18-15)14(19)10-11-4-5-13(17)12(16)9-11/h4-5,9,18H,2-3,6-8,10H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone has a molecular weight of 283.77 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 106976614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).