N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide

C18H25F3N2O2 — CID 67812706

IUPACN-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide
SMILESCC(C)[C@H](CN1CCCC1)N(C)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-13(2)15(12-23-10-6-7-11-23)22(3)17(24)14-8-4-5-9-16(14)25-18(19,20)21/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3/t15-/m0/s1
InChIKeyVYHBVARRGGGEIN-HNNXBMFYSA-N
MW358.40 g/mol
LogP3.78
Rot. Bonds6

About N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide

N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 67812706) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide
PubChem CID67812706
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide
SMILESCC(C)[C@H](CN1CCCC1)N(C)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-13(2)15(12-23-10-6-7-11-23)22(3)17(24)14-8-4-5-9-16(14)25-18(19,20)21/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3/t15-/m0/s1
InChIKeyVYHBVARRGGGEIN-HNNXBMFYSA-N
XLogP3.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)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

N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 67774195
4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide
CID 67772416
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773029
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67773038
N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide
CID 124614857
4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773337
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67773483
2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 79018019
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 121137983
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide (CID 67812706) is N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide is CC(C)[C@H](CN1CCCC1)N(C)C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide?
The InChIKey is VYHBVARRGGGEIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-13(2)15(12-23-10-6-7-11-23)22(3)17(24)14-8-4-5-9-16(14)25-18(19,20)21/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide?
N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 358.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 67812706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).