2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide

C17H25FN2O3 — CID 128981964

IUPAC2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide
SMILESCOc1ccc(F)cc1CC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C17H25FN2O3/c1-19-11-15(22-3)9-14(19)10-20(2)17(21)8-12-7-13(18)5-6-16(12)23-4/h5-7,14-15H,8-11H2,1-4H3/t14-,15-/m0/s1
InChIKeyZAMVZBJVAUPNGV-GJZGRUSLSA-N
MW324.40 g/mol
LogP1.55
Rot. Bonds6

About 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide

2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide (PubChem CID 128981964) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide
PubChem CID128981964
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide
SMILESCOc1ccc(F)cc1CC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C17H25FN2O3/c1-19-11-15(22-3)9-14(19)10-20(2)17(21)8-12-7-13(18)5-6-16(12)23-4/h5-7,14-15H,8-11H2,1-4H3/t14-,15-/m0/s1
InChIKeyZAMVZBJVAUPNGV-GJZGRUSLSA-N
XLogP1.55
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-4-(2-methoxyphenyl)-N,3-dimethylbut-2-enamide
CID 154796308
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1-benzofuran-3-yl)acetamide
CID 128982045
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 128981958
4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 128987256
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide
CID 128981996
2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide
CID 110767187
2-ethyl-5-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylsulfamoyl]benzoic acid
CID 167992227
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
CID 128980206
[5-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
CID 128981517

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide (CID 128981964) is 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide is COc1ccc(F)cc1CC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide?
The InChIKey is ZAMVZBJVAUPNGV-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-19-11-15(22-3)9-14(19)10-20(2)17(21)8-12-7-13(18)5-6-16(12)23-4/h5-7,14-15H,8-11H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide?
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide has a molecular weight of 324.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 128981964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).