N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide

C21H25FN2O2 — CID 56580441

IUPACN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2c(F)cccc2N2CCCC2)c(C)c1
InChIInChI=1S/C21H25FN2O2/c1-14-11-15(2)21(16(3)12-14)26-13-19(25)23-20-17(22)7-6-8-18(20)24-9-4-5-10-24/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,23,25)
InChIKeyUODCZJYMZHOOIU-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.37
Rot. Bonds5

About N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 56580441) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID56580441
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2c(F)cccc2N2CCCC2)c(C)c1
InChIInChI=1S/C21H25FN2O2/c1-14-11-15(2)21(16(3)12-14)26-13-19(25)23-20-17(22)7-6-8-18(20)24-9-4-5-10-24/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,23,25)
InChIKeyUODCZJYMZHOOIU-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
CID 119872671
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
N-(2,6-difluorophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21368263
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 122133653
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7892006
2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 4501880
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 61218583
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 19175451
2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide
CID 56784776
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9100126

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 56580441) is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2c(F)cccc2N2CCCC2)c(C)c1.
What is the InChIKey of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is UODCZJYMZHOOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-14-11-15(2)21(16(3)12-14)26-13-19(25)23-20-17(22)7-6-8-18(20)24-9-4-5-10-24/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,23,25).
What are the key properties of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 356.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 56580441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).