2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide

C18H19FN2O — CID 52914895

IUPAC2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccccc1N1CCCC1)C(F)c1ccccc1
InChIInChI=1S/C18H19FN2O/c19-17(14-8-2-1-3-9-14)18(22)20-15-10-4-5-11-16(15)21-12-6-7-13-21/h1-5,8-11,17H,6-7,12-13H2,(H,20,22)
InChIKeyNJKREBVBBUCBFR-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.94
Rot. Bonds4

About 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 52914895) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID52914895
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccccc1N1CCCC1)C(F)c1ccccc1
InChIInChI=1S/C18H19FN2O/c19-17(14-8-2-1-3-9-14)18(22)20-15-10-4-5-11-16(15)21-12-6-7-13-21/h1-5,8-11,17H,6-7,12-13H2,(H,20,22)
InChIKeyNJKREBVBBUCBFR-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
N-[2-(azepan-1-yl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432238
(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 50985951
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 107568445
(2S)-2-amino-N-(2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 22691745
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 53313363
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 52914895) is 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(Nc1ccccc1N1CCCC1)C(F)c1ccccc1.
What is the InChIKey of 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is NJKREBVBBUCBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-17(14-8-2-1-3-9-14)18(22)20-15-10-4-5-11-16(15)21-12-6-7-13-21/h1-5,8-11,17H,6-7,12-13H2,(H,20,22).
What are the key properties of 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 298.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 52914895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).