N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide

C17H23F3N2O — CID 95225668

IUPACN-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CN1CC[C@H](CNC(=O)Cc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C17H23F3N2O/c1-11(2)9-22-6-5-12(10-22)8-21-15(23)7-13-3-4-14(18)17(20)16(13)19/h3-4,11-12H,5-10H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyIEJSPHQZRHBZBN-GFCCVEGCSA-N
MW328.38 g/mol
LogP2.74
Rot. Bonds6

About N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide

N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide (PubChem CID 95225668) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide
PubChem CID95225668
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CN1CC[C@H](CNC(=O)Cc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C17H23F3N2O/c1-11(2)9-22-6-5-12(10-22)8-21-15(23)7-13-3-4-14(18)17(20)16(13)19/h3-4,11-12H,5-10H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyIEJSPHQZRHBZBN-GFCCVEGCSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)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-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516
2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
CID 95199115
7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
CID 119885095
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 95290703
6-(cyclopropylamino)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028030
6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028028
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56705447
2-(2-fluorophenyl)-N-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 94777767
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885145
5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide
CID 110309129
6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 56720822
(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 119885169

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide (CID 95225668) is N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide is CC(C)CN1CC[C@H](CNC(=O)Cc2ccc(F)c(F)c2F)C1.
What is the InChIKey of N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is IEJSPHQZRHBZBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-11(2)9-22-6-5-12(10-22)8-21-15(23)7-13-3-4-14(18)17(20)16(13)19/h3-4,11-12H,5-10H2,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide?
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 328.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 95225668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).