1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one

C21H24FNO2 — CID 141398677

IUPAC1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one
SMILESCc1cc(OCCCN2CCCC2=O)c(F)c(C)c1-c1ccccc1
InChIInChI=1S/C21H24FNO2/c1-15-14-18(25-13-7-12-23-11-6-10-19(23)24)21(22)16(2)20(15)17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyWHUWEHOBCQPEHI-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.50
Rot. Bonds6

About 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one

1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one (PubChem CID 141398677) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one
PubChem CID141398677
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one
SMILESCc1cc(OCCCN2CCCC2=O)c(F)c(C)c1-c1ccccc1
InChIInChI=1S/C21H24FNO2/c1-15-14-18(25-13-7-12-23-11-6-10-19(23)24)21(22)16(2)20(15)17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyWHUWEHOBCQPEHI-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071635
Acetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-N-methyl-
CID 3071638
N-[2-(7-Phenyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 22004862
3-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 3946238
N-[2-(7-ethoxynaphthalen-1-yl)ethyl]propanamide
CID 44359126
N-[2-(7-Benzyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 53237951
N-[2-[7-(2-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238186
N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238407
N-[2-[7-(4-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238408
N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238409
N-[2-[7-(3-propan-2-ylphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238410
N-[2-[7-(2-fluoroethoxy)naphthalen-1-yl]ethyl]acetamide
CID 57381767

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one (CID 141398677) is 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one is Cc1cc(OCCCN2CCCC2=O)c(F)c(C)c1-c1ccccc1.
What is the InChIKey of 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one?
The InChIKey is WHUWEHOBCQPEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-15-14-18(25-13-7-12-23-11-6-10-19(23)24)21(22)16(2)20(15)17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3.
What are the key properties of 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one?
1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one has a molecular weight of 341.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-3,5-dimethyl-4-phenylphenoxy)propyl]pyrrolidin-2-one is sourced from PubChem (CID 141398677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).