N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide

C18H23F3N2O2 — CID 12035432

IUPACN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide
SMILESC=CC[C@@H](N(C(=O)c1ccccc1)N1CCC[C@H]1COC)C(F)(F)F
InChIInChI=1S/C18H23F3N2O2/c1-3-8-16(18(19,20)21)23(17(24)14-9-5-4-6-10-14)22-12-7-11-15(22)13-25-2/h3-6,9-10,15-16H,1,7-8,11-13H2,2H3/t15-,16+/m0/s1
InChIKeyUOYZZQXTPHMELW-JKSUJKDBSA-N
MW356.39 g/mol
LogP3.66
Rot. Bonds7

About N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide

N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide (PubChem CID 12035432) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide
PubChem CID12035432
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide
SMILESC=CC[C@@H](N(C(=O)c1ccccc1)N1CCC[C@H]1COC)C(F)(F)F
InChIInChI=1S/C18H23F3N2O2/c1-3-8-16(18(19,20)21)23(17(24)14-9-5-4-6-10-14)22-12-7-11-15(22)13-25-2/h3-6,9-10,15-16H,1,7-8,11-13H2,2H3/t15-,16+/m0/s1
InChIKeyUOYZZQXTPHMELW-JKSUJKDBSA-N
XLogP3.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide 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

l-Proline, N-(4-fluorobenzoyl)-, methyl ester
CID 531399
[2-(2,5-Dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone
CID 2839830
1-(2-Methoxyethyl)-3-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}-2-pyrrolidinone
CID 71835837
3-[4-(3,4-Difluorobenzoyl)piperazin-1-YL]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91913056
3-[4-(2,4-Difluorobenzoyl)piperazin-1-YL]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91913058
8-(4-Fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97385453
3-[1-[4-(Trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710688
l-Proline, N-(2-fluorobenzoyl)-, methyl ester
CID 531415
l-Proline, N-(2,3,4-trifluorobenzoyl)-, methyl ester
CID 531424
l-Proline, N-(2,6-difluorobenzoyl)-, methyl ester
CID 531454
l-Proline, N-(3-fluorobenzoyl)-, methyl ester
CID 531468
l-Proline, N-(3-trifluoromethylbenzoyl)-, methyl ester
CID 531492

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide?
The IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide (CID 12035432) is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide?
The canonical SMILES for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide is C=CC[C@@H](N(C(=O)c1ccccc1)N1CCC[C@H]1COC)C(F)(F)F.
What is the InChIKey of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide?
The InChIKey is UOYZZQXTPHMELW-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-3-8-16(18(19,20)21)23(17(24)14-9-5-4-6-10-14)22-12-7-11-15(22)13-25-2/h3-6,9-10,15-16H,1,7-8,11-13H2,2H3/t15-,16+/m0/s1.
What are the key properties of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide?
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]benzamide is sourced from PubChem (CID 12035432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).