[(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone

C22H22F2N2O — CID 68898993

IUPAC[(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESC[C@]1(C(=O)N2CC=CC2c2ccccc2)CC(c2cc(F)ccc2F)CN1
InChIInChI=1S/C22H22F2N2O/c1-22(13-16(14-25-22)18-12-17(23)9-10-19(18)24)21(27)26-11-5-8-20(26)15-6-3-2-4-7-15/h2-10,12,16,20,25H,11,13-14H2,1H3/t16?,20?,22-/m1/s1
InChIKeyUCONASCCVKTOMA-HTRPQEOZSA-N
MW368.43 g/mol
LogP3.94
Rot. Bonds3

About [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone

[(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 68898993) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID68898993
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESC[C@]1(C(=O)N2CC=CC2c2ccccc2)CC(c2cc(F)ccc2F)CN1
InChIInChI=1S/C22H22F2N2O/c1-22(13-16(14-25-22)18-12-17(23)9-10-19(18)24)21(27)26-11-5-8-20(26)15-6-3-2-4-7-15/h2-10,12,16,20,25H,11,13-14H2,1H3/t16?,20?,22-/m1/s1
InChIKeyUCONASCCVKTOMA-HTRPQEOZSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone (CID 68898993) is [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone is C[C@]1(C(=O)N2CC=CC2c2ccccc2)CC(c2cc(F)ccc2F)CN1.
What is the InChIKey of [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is UCONASCCVKTOMA-HTRPQEOZSA-N. The full InChI is InChI=1S/C22H22F2N2O/c1-22(13-16(14-25-22)18-12-17(23)9-10-19(18)24)21(27)26-11-5-8-20(26)15-6-3-2-4-7-15/h2-10,12,16,20,25H,11,13-14H2,1H3/t16?,20?,22-/m1/s1.
What are the key properties of [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone?
[(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 368.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 68898993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).