N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C13H15F3N2O — CID 79688212

IUPACN-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCNC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-3-1-9(2-4-10)7-12(19)18-11-5-6-17-8-11/h1-4,11,17H,5-8H2,(H,18,19)/t11-/m0/s1
InChIKeyDNNKIPCOQVCZCY-NSHDSACASA-N
MW272.27 g/mol
LogP1.73
Rot. Bonds3

About N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 79688212) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID79688212
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCNC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-3-1-9(2-4-10)7-12(19)18-11-5-6-17-8-11/h1-4,11,17H,5-8H2,(H,18,19)/t11-/m0/s1
InChIKeyDNNKIPCOQVCZCY-NSHDSACASA-N
XLogP1.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103977076
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 119389396
N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119474100
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 79688212) is N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCNC1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DNNKIPCOQVCZCY-NSHDSACASA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)10-3-1-9(2-4-10)7-12(19)18-11-5-6-17-8-11/h1-4,11,17H,5-8H2,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 272.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 79688212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).