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

C28H30F2N2O2 — CID 67673131

IUPACN-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide
SMILESCN(C(=O)C(C)(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1F
InChIInChI=1S/C28H30F2N2O2/c1-28(20-9-5-3-6-10-20,21-11-7-4-8-12-21)27(34)31(2)26(19-32-16-15-23(33)18-32)24-14-13-22(29)17-25(24)30/h3-14,17,23,26,33H,15-16,18-19H2,1-2H3/t23-,26+/m0/s1
InChIKeyLEMUUTGYCZFNLW-JYFHCDHNSA-N
MW464.56 g/mol
LogP4.54
Rot. Bonds7

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

N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide (PubChem CID 67673131) has the molecular formula C28H30F2N2O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide
PubChem CID67673131
Molecular FormulaC28H30F2N2O2
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide
SMILESCN(C(=O)C(C)(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1F
InChIInChI=1S/C28H30F2N2O2/c1-28(20-9-5-3-6-10-20,21-11-7-4-8-12-21)27(34)31(2)26(19-32-16-15-23(33)18-32)24-14-13-22(29)17-25(24)30/h3-14,17,23,26,33H,15-16,18-19H2,1-2H3/t23-,26+/m0/s1
InChIKeyLEMUUTGYCZFNLW-JYFHCDHNSA-N
XLogP4.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide (CID 67673131) is N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide is CN(C(=O)C(C)(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide?
The InChIKey is LEMUUTGYCZFNLW-JYFHCDHNSA-N. The full InChI is InChI=1S/C28H30F2N2O2/c1-28(20-9-5-3-6-10-20,21-11-7-4-8-12-21)27(34)31(2)26(19-32-16-15-23(33)18-32)24-14-13-22(29)17-25(24)30/h3-14,17,23,26,33H,15-16,18-19H2,1-2H3/t23-,26+/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide?
N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide has a molecular weight of 464.56 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide is sourced from PubChem (CID 67673131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).