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

C27H29FN2O2 — CID 22862238

IUPACN-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1
InChIInChI=1S/C27H29FN2O2/c1-29(25(19-30-17-16-24(31)18-30)20-12-14-23(28)15-13-20)27(32)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24-26,31H,16-19H2,1H3/t24-,25+/m0/s1
InChIKeyQLERVPLXIGZNPG-LOSJGSFVSA-N
MW432.54 g/mol
LogP4.22
Rot. Bonds7

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

N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide (PubChem CID 22862238) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide
PubChem CID22862238
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC NameN-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1
InChIInChI=1S/C27H29FN2O2/c1-29(25(19-30-17-16-24(31)18-30)20-12-14-23(28)15-13-20)27(32)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24-26,31H,16-19H2,1H3/t24-,25+/m0/s1
InChIKeyQLERVPLXIGZNPG-LOSJGSFVSA-N
XLogP4.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide (CID 22862238) is N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide is CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide?
The InChIKey is QLERVPLXIGZNPG-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-29(25(19-30-17-16-24(31)18-30)20-12-14-23(28)15-13-20)27(32)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24-26,31H,16-19H2,1H3/t24-,25+/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide?
N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide has a molecular weight of 432.54 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylacetamide is sourced from PubChem (CID 22862238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).