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

C18H24F4N2O — CID 67772416

IUPAC4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide
SMILESCC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H24F4N2O/c1-12(2)16(11-24-8-4-5-9-24)23(3)17(25)14-7-6-13(19)10-15(14)18(20,21)22/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3
InChIKeySTWIPZMXPBKXPT-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.04
Rot. Bonds5

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

4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 67772416) has the molecular formula C18H24F4N2O and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID67772416
Molecular FormulaC18H24F4N2O
Molecular Weight360.40 g/mol
Exact Mass360.18
IUPAC Name4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide
SMILESCC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H24F4N2O/c1-12(2)16(11-24-8-4-5-9-24)23(3)17(25)14-7-6-13(19)10-15(14)18(20,21)22/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3
InChIKeySTWIPZMXPBKXPT-UHFFFAOYSA-N
XLogP4.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)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

2-[[4-fluoro-2-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
CID 119358734
N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide
CID 67812706
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773029
N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 67774195
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67773483
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408
2,2-dihydroxybutanedioic acid;4-fluoro-N,3-dimethyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67774412
4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773337
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67773038
4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide (CID 67772416) is 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide is CC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is STWIPZMXPBKXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4N2O/c1-12(2)16(11-24-8-4-5-9-24)23(3)17(25)14-7-6-13(19)10-15(14)18(20,21)22/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide?
4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 360.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 67772416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).