N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide

C18H25F3N2O2 — CID 67774195

IUPACN-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c1-13(2)16(12-23-10-4-5-11-23)22(3)17(24)14-6-8-15(9-7-14)25-18(19,20)21/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyMEXCGBSEIRIKFH-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.78
Rot. Bonds6

About N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide

N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 67774195) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
PubChem CID67774195
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c1-13(2)16(12-23-10-4-5-11-23)22(3)17(24)14-6-8-15(9-7-14)25-18(19,20)21/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyMEXCGBSEIRIKFH-UHFFFAOYSA-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

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Related Compounds

N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408
N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide
CID 67812706
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
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-bromo-N-methylbenzamide;N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-bromo-N-methylbenzamide;2,3-dihydroxybutanedioic acid
CID 173339527
2,2-dihydroxybutanedioic acid;4-fluoro-N,3-dimethyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67774412
N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane
CID 143270772
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773029
4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67772988
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide (CID 67774195) is N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide is CC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is MEXCGBSEIRIKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-13(2)16(12-23-10-4-5-11-23)22(3)17(24)14-6-8-15(9-7-14)25-18(19,20)21/h6-9,13,16H,4-5,10-12H2,1-3H3.
What are the key properties of N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(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-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 67774195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).