2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide

C12H16N2O — CID 79688083

IUPAC2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)N[C@H]1CCNC1
InChIInChI=1S/C12H16N2O/c15-12(14-11-6-7-13-9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKeyDXLHNFXYCUGDNF-NSHDSACASA-N
MW204.27 g/mol
LogP0.71
Rot. Bonds3

About 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide

2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 79688083) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID79688083
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)N[C@H]1CCNC1
InChIInChI=1S/C12H16N2O/c15-12(14-11-6-7-13-9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKeyDXLHNFXYCUGDNF-NSHDSACASA-N
XLogP0.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
N-cyclopropyl-2-phenylacetamide
CID 5175687
3,4-diphenyl-N-pyrrolidin-3-ylbutanamide
CID 119451866
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 79688083) is 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide is O=C(Cc1ccccc1)N[C@H]1CCNC1.
What is the InChIKey of 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is DXLHNFXYCUGDNF-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(14-11-6-7-13-9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide?
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 204.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 79688083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).