2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide

C12H15FN2O — CID 82114619

IUPAC2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESNC(=O)C(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H15FN2O/c13-10-5-3-9(4-6-10)11(12(14)16)15-7-1-2-8-15/h3-6,11H,1-2,7-8H2,(H2,14,16)
InChIKeyYYCBCMANHHYUQS-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.45
Rot. Bonds3

About 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide

2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 82114619) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID82114619
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESNC(=O)C(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H15FN2O/c13-10-5-3-9(4-6-10)11(12(14)16)15-7-1-2-8-15/h3-6,11H,1-2,7-8H2,(H2,14,16)
InChIKeyYYCBCMANHHYUQS-UHFFFAOYSA-N
XLogP1.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-1-yl-2-(4-propan-2-ylphenyl)acetamide
CID 82121488
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
CID 30807703
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152
(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 97312757
3-(4-fluorophenyl)-3-piperidin-1-ylpropanamide
CID 70303350
(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95309214
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 97261025
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
(2S)-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 26040439
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120772793

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide (CID 82114619) is 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide is NC(=O)C(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is YYCBCMANHHYUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-5-3-9(4-6-10)11(12(14)16)15-7-1-2-8-15/h3-6,11H,1-2,7-8H2,(H2,14,16).
What are the key properties of 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 222.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 82114619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).