N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide

C24H25FN2O3 — CID 2595183

IUPACN-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C
InChIInChI=1S/C24H25FN2O3/c1-16-14-21(17(2)27(16)13-12-19-8-10-20(25)11-9-19)23(29)15-30-24-7-5-4-6-22(24)26-18(3)28/h4-11,14H,12-13,15H2,1-3H3,(H,26,28)
InChIKeyXARXPGXULKSUJO-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.71
Rot. Bonds8

About N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide

N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide (PubChem CID 2595183) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
PubChem CID2595183
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC NameN-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C
InChIInChI=1S/C24H25FN2O3/c1-16-14-21(17(2)27(16)13-12-19-8-10-20(25)11-9-19)23(29)15-30-24-7-5-4-6-22(24)26-18(3)28/h4-11,14H,12-13,15H2,1-3H3,(H,26,28)
InChIKeyXARXPGXULKSUJO-UHFFFAOYSA-N
XLogP4.71
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide (CID 2595183) is N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C.
What is the InChIKey of N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is XARXPGXULKSUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-16-14-21(17(2)27(16)13-12-19-8-10-20(25)11-9-19)23(29)15-30-24-7-5-4-6-22(24)26-18(3)28/h4-11,14H,12-13,15H2,1-3H3,(H,26,28).
What are the key properties of N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 408.47 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 2595183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).