N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide

C20H24F3N3O2 — CID 167890350

IUPACN-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C1(C(=O)N2CC3CC(NC(=O)c4cccc(C(F)(F)F)c4)C2C3)CC1
InChIInChI=1S/C20H24F3N3O2/c1-25(2)19(6-7-19)18(28)26-11-12-8-15(16(26)9-12)24-17(27)13-4-3-5-14(10-13)20(21,22)23/h3-5,10,12,15-16H,6-9,11H2,1-2H3,(H,24,27)
InChIKeyWUAHTFZDPIFUQF-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.52
Rot. Bonds4

About N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide

N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide (PubChem CID 167890350) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide
PubChem CID167890350
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C1(C(=O)N2CC3CC(NC(=O)c4cccc(C(F)(F)F)c4)C2C3)CC1
InChIInChI=1S/C20H24F3N3O2/c1-25(2)19(6-7-19)18(28)26-11-12-8-15(16(26)9-12)24-17(27)13-4-3-5-14(10-13)20(21,22)23/h3-5,10,12,15-16H,6-9,11H2,1-2H3,(H,24,27)
InChIKeyWUAHTFZDPIFUQF-UHFFFAOYSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[(1R,4R,6S)-2-[3-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052678
N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 114632488
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 91843932
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
N-[(1R,4R,6S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052683
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
N-[2-(dimethylamino)cyclohexyl]-3-(trifluoromethyl)benzamide;4-methylbenzenesulfonic acid
CID 23349812
N-[(3S,4S)-1-[5-(dimethylamino)-5-oxo-4,4-diphenylpentan-2-yl]-3-hydroxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 18643567

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide (CID 167890350) is N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide is CN(C)C1(C(=O)N2CC3CC(NC(=O)c4cccc(C(F)(F)F)c4)C2C3)CC1.
What is the InChIKey of N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is WUAHTFZDPIFUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-25(2)19(6-7-19)18(28)26-11-12-8-15(16(26)9-12)24-17(27)13-4-3-5-14(10-13)20(21,22)23/h3-5,10,12,15-16H,6-9,11H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide?
N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 395.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(dimethylamino)cyclopropanecarbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 167890350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).