[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone

C21H21F2NO — CID 170294184

IUPAC[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCCC2)CC1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C21H21F2NO/c1-21(20(25)24-11-4-5-12-24)13-16(21)14-7-2-3-8-15(14)19-17(22)9-6-10-18(19)23/h2-3,6-10,16H,4-5,11-13H2,1H3
InChIKeyVQJPCKRWYVMETK-UHFFFAOYSA-N
MW341.40 g/mol
LogP4.75
Rot. Bonds3

About [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone

[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 170294184) has the molecular formula C21H21F2NO and a molecular weight of 341.40 g/mol. Its IUPAC name is [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID170294184
Molecular FormulaC21H21F2NO
Molecular Weight341.40 g/mol
Exact Mass341.16
IUPAC Name[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCCC2)CC1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C21H21F2NO/c1-21(20(25)24-11-4-5-12-24)13-16(21)14-7-2-3-8-15(14)19-17(22)9-6-10-18(19)23/h2-3,6-10,16H,4-5,11-13H2,1H3
InChIKeyVQJPCKRWYVMETK-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
Spiro-carboxamide scaffold, 13
CID 44143299
1-[(2S)-2-[5,5-bis(4-fluorophenyl)pentanoyl]pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione
CID 10205387
2-[2-(4-Fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
CID 59336862
2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 4388725
N,N-diethyl-2,2-diphenylacetamide
CID 229107
Spiro-carboxamide scaffold, 7
CID 44143293
Spiro-carboxamide scaffold, 12
CID 44143298
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-3-(2-methylphenyl)pyrrolidine
CID 11609792
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
Spiro-carboxamide scaffold, 8
CID 44143294
3-(4-Cyclohexylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 155544705

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone (CID 170294184) is [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone is CC1(C(=O)N2CCCC2)CC1c1ccccc1-c1c(F)cccc1F.
What is the InChIKey of [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VQJPCKRWYVMETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO/c1-21(20(25)24-11-4-5-12-24)13-16(21)14-7-2-3-8-15(14)19-17(22)9-6-10-18(19)23/h2-3,6-10,16H,4-5,11-13H2,1H3.
What are the key properties of [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone?
[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.40 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 170294184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).