[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

C21H21F2NO — CID 174141654

IUPAC[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2-c2c(F)cccc2F)C1
InChIInChI=1S/C21H21F2NO/c1-13-9-10-24(12-13)21(25)17-11-16(17)14-5-2-3-6-15(14)20-18(22)7-4-8-19(20)23/h2-8,13,16-17H,9-12H2,1H3/t13-,16+,17-/m1/s1
InChIKeyKANPSKNICIFRBF-XOKHGSTOSA-N
MW341.40 g/mol
LogP4.60
Rot. Bonds3

About [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 174141654) has the molecular formula C21H21F2NO and a molecular weight of 341.40 g/mol. Its IUPAC name is [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
PubChem CID174141654
Molecular FormulaC21H21F2NO
Molecular Weight341.40 g/mol
Exact Mass341.16
IUPAC Name[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2-c2c(F)cccc2F)C1
InChIInChI=1S/C21H21F2NO/c1-13-9-10-24(12-13)21(25)17-11-16(17)14-5-2-3-6-15(14)20-18(22)7-4-8-19(20)23/h2-8,13,16-17H,9-12H2,1H3/t13-,16+,17-/m1/s1
InChIKeyKANPSKNICIFRBF-XOKHGSTOSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
2-[2-(4-Fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
CID 59336862
2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 4388725
4-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 9804326
N,N-diethyl-2,2-diphenylacetamide
CID 229107
Spiro-carboxamide scaffold, 7
CID 44143293
Spiro-carboxamide scaffold, 12
CID 44143298
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
2-(2-Methylphenyl)-1-pyrrolidin-1-ylethanone
CID 6470987

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (CID 174141654) is [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2-c2c(F)cccc2F)C1.
What is the InChIKey of [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is KANPSKNICIFRBF-XOKHGSTOSA-N. The full InChI is InChI=1S/C21H21F2NO/c1-13-9-10-24(12-13)21(25)17-11-16(17)14-5-2-3-6-15(14)20-18(22)7-4-8-19(20)23/h2-8,13,16-17H,9-12H2,1H3/t13-,16+,17-/m1/s1.
What are the key properties of [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 341.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 174141654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).