2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide

C28H29F3N2O2 — CID 67673412

IUPAC2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide
SMILESCN(C(=O)C(C)(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1
InChIInChI=1S/C28H29F3N2O2/c1-28(20-5-11-23(30)12-6-20,21-7-13-24(31)14-8-21)27(35)32(2)26(18-33-16-15-25(34)17-33)19-3-9-22(29)10-4-19/h3-14,25-26,34H,15-18H2,1-2H3/t25-,26+/m0/s1
InChIKeyQJEBIMXITNIPJA-IZZNHLLZSA-N
MW482.55 g/mol
LogP4.68
Rot. Bonds7

About 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide

2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide (PubChem CID 67673412) has the molecular formula C28H29F3N2O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide
PubChem CID67673412
Molecular FormulaC28H29F3N2O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide
SMILESCN(C(=O)C(C)(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1
InChIInChI=1S/C28H29F3N2O2/c1-28(20-5-11-23(30)12-6-20,21-7-13-24(31)14-8-21)27(35)32(2)26(18-33-16-15-25(34)17-33)19-3-9-22(29)10-4-19/h3-14,25-26,34H,15-18H2,1-2H3/t25-,26+/m0/s1
InChIKeyQJEBIMXITNIPJA-IZZNHLLZSA-N
XLogP4.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide (CID 67673412) is 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide is CN(C(=O)C(C)(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide?
The InChIKey is QJEBIMXITNIPJA-IZZNHLLZSA-N. The full InChI is InChI=1S/C28H29F3N2O2/c1-28(20-5-11-23(30)12-6-20,21-7-13-24(31)14-8-21)27(35)32(2)26(18-33-16-15-25(34)17-33)19-3-9-22(29)10-4-19/h3-14,25-26,34H,15-18H2,1-2H3/t25-,26+/m0/s1.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide?
2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide has a molecular weight of 482.55 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 67673412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).