2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C27H28F2N2O — CID 67673351

IUPAC2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C27H28F2N2O/c1-30(25(19-31-17-5-6-18-31)20-7-3-2-4-8-20)27(32)26(21-9-13-23(28)14-10-21)22-11-15-24(29)16-12-22/h2-4,7-16,25-26H,5-6,17-19H2,1H3/t25-/m1/s1
InChIKeyNJJSFVNBYHZBRS-RUZDIDTESA-N
MW434.53 g/mol
LogP5.39
Rot. Bonds7

About 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 67673351) has the molecular formula C27H28F2N2O and a molecular weight of 434.53 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID67673351
Molecular FormulaC27H28F2N2O
Molecular Weight434.53 g/mol
Exact Mass434.22
IUPAC Name2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C27H28F2N2O/c1-30(25(19-31-17-5-6-18-31)20-7-3-2-4-8-20)27(32)26(21-9-13-23(28)14-10-21)22-11-15-24(29)16-12-22/h2-4,7-16,25-26H,5-6,17-19H2,1H3/t25-/m1/s1
InChIKeyNJJSFVNBYHZBRS-RUZDIDTESA-N
XLogP5.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 67673351) is 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is CN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CCCC1)c1ccccc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is NJJSFVNBYHZBRS-RUZDIDTESA-N. The full InChI is InChI=1S/C27H28F2N2O/c1-30(25(19-31-17-5-6-18-31)20-7-3-2-4-8-20)27(32)26(21-9-13-23(28)14-10-21)22-11-15-24(29)16-12-22/h2-4,7-16,25-26H,5-6,17-19H2,1H3/t25-/m1/s1.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 434.53 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 67673351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).