2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide

C20H20F2N2O3 — CID 55835649

IUPAC2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1
InChIInChI=1S/C20H20F2N2O3/c1-13(25)14-4-6-16(7-5-14)27-12-19(26)23-15-10-17(21)20(18(22)11-15)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,23,26)
InChIKeyUIGWBNIWUZNGHI-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.79
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide

2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 55835649) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID55835649
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1
InChIInChI=1S/C20H20F2N2O3/c1-13(25)14-4-6-16(7-5-14)27-12-19(26)23-15-10-17(21)20(18(22)11-15)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,23,26)
InChIKeyUIGWBNIWUZNGHI-UHFFFAOYSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 51121498
2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2384611
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713
2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273423
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 2709986
2-(4-acetamidophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7203483
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 2204732
N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 26907063
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide (CID 55835649) is 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide is CC(=O)c1ccc(OCC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is UIGWBNIWUZNGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-13(25)14-4-6-16(7-5-14)27-12-19(26)23-15-10-17(21)20(18(22)11-15)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,23,26).
What are the key properties of 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide?
2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 374.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 55835649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).