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

C24H25FN2O3 — CID 2453169

IUPACN-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C24H25FN2O3/c1-16-14-23(17(2)27(16)13-12-19-4-6-20(25)7-5-19)24(29)15-30-22-10-8-21(9-11-22)26-18(3)28/h4-11,14H,12-13,15H2,1-3H3,(H,26,28)
InChIKeyCCMAVJITDDIFLM-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.71
Rot. Bonds8

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

N-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide (PubChem CID 2453169) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
PubChem CID2453169
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC NameN-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C24H25FN2O3/c1-16-14-23(17(2)27(16)13-12-19-4-6-20(25)7-5-19)24(29)15-30-22-10-8-21(9-11-22)26-18(3)28/h4-11,14H,12-13,15H2,1-3H3,(H,26,28)
InChIKeyCCMAVJITDDIFLM-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-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide (CID 2453169) is N-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)cc1.
What is the InChIKey of N-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is CCMAVJITDDIFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-16-14-23(17(2)27(16)13-12-19-4-6-20(25)7-5-19)24(29)15-30-22-10-8-21(9-11-22)26-18(3)28/h4-11,14H,12-13,15H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
N-[4-[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-[4-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 2453169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).