N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide

C22H22FN3O — CID 56556711

IUPACN-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1cc(-n2cccc2)ccc1F)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C22H22FN3O/c23-19-11-10-18(25-12-4-5-13-25)16-20(19)24-22(27)21(26-14-6-7-15-26)17-8-2-1-3-9-17/h1-5,8-13,16,21H,6-7,14-15H2,(H,24,27)
InChIKeyZSQROIDRISCQJZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.39
Rot. Bonds5

About N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide

N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 56556711) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID56556711
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1cc(-n2cccc2)ccc1F)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C22H22FN3O/c23-19-11-10-18(25-12-4-5-13-25)16-20(19)24-22(27)21(26-14-6-7-15-26)17-8-2-1-3-9-17/h1-5,8-13,16,21H,6-7,14-15H2,(H,24,27)
InChIKeyZSQROIDRISCQJZ-UHFFFAOYSA-N
XLogP4.39
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 96514873
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111422811
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556713
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-methoxyurea
CID 75420852
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 3520877
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
(2R)-2-phenyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 94749994
3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010393
N-(2,3-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 136519756
N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide
CID 100626605
N-(2,5-difluorophenyl)-2,2-diphenylacetamide
CID 7770336

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 56556711) is N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide is O=C(Nc1cc(-n2cccc2)ccc1F)C(c1ccccc1)N1CCCC1.
What is the InChIKey of N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZSQROIDRISCQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-11-10-18(25-12-4-5-13-25)16-20(19)24-22(27)21(26-14-6-7-15-26)17-8-2-1-3-9-17/h1-5,8-13,16,21H,6-7,14-15H2,(H,24,27).
What are the key properties of N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 363.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 56556711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).