N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide

C21H25FN2O3 — CID 134804021

IUPACN-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(Cc2ccc(-c3cc(F)ccc3OC)cc2)C1
InChIInChI=1S/C21H25FN2O3/c1-26-14-21(25)23-18-9-10-24(13-18)12-15-3-5-16(6-4-15)19-11-17(22)7-8-20(19)27-2/h3-8,11,18H,9-10,12-14H2,1-2H3,(H,23,25)
InChIKeyWEQVICBNMSJNRU-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.84
Rot. Bonds7

About N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide

N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 134804021) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID134804021
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(Cc2ccc(-c3cc(F)ccc3OC)cc2)C1
InChIInChI=1S/C21H25FN2O3/c1-26-14-21(25)23-18-9-10-24(13-18)12-15-3-5-16(6-4-15)19-11-17(22)7-8-20(19)27-2/h3-8,11,18H,9-10,12-14H2,1-2H3,(H,23,25)
InChIKeyWEQVICBNMSJNRU-UHFFFAOYSA-N
XLogP2.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide (CID 134804021) is N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(Cc2ccc(-c3cc(F)ccc3OC)cc2)C1.
What is the InChIKey of N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is WEQVICBNMSJNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-26-14-21(25)23-18-9-10-24(13-18)12-15-3-5-16(6-4-15)19-11-17(22)7-8-20(19)27-2/h3-8,11,18H,9-10,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 372.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 134804021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).