N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide

C17H25FN2O3 — CID 50980577

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide
SMILESCC(C)O[C@H]1CN(CC(=O)NCCc2ccc(F)cc2)C[C@@H]1O
InChIInChI=1S/C17H25FN2O3/c1-12(2)23-16-10-20(9-15(16)21)11-17(22)19-8-7-13-3-5-14(18)6-4-13/h3-6,12,15-16,21H,7-11H2,1-2H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyQDLJJIPMHLFNQD-HOTGVXAUSA-N
MW324.40 g/mol
LogP0.95
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide (PubChem CID 50980577) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide
PubChem CID50980577
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide
SMILESCC(C)O[C@H]1CN(CC(=O)NCCc2ccc(F)cc2)C[C@@H]1O
InChIInChI=1S/C17H25FN2O3/c1-12(2)23-16-10-20(9-15(16)21)11-17(22)19-8-7-13-3-5-14(18)6-4-13/h3-6,12,15-16,21H,7-11H2,1-2H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyQDLJJIPMHLFNQD-HOTGVXAUSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide (CID 50980577) is N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide is CC(C)O[C@H]1CN(CC(=O)NCCc2ccc(F)cc2)C[C@@H]1O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide?
The InChIKey is QDLJJIPMHLFNQD-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-12(2)23-16-10-20(9-15(16)21)11-17(22)19-8-7-13-3-5-14(18)6-4-13/h3-6,12,15-16,21H,7-11H2,1-2H3,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide has a molecular weight of 324.40 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 50980577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).