N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide

C18H19F3N2O2 — CID 43001663

IUPACN-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-23(2)16(13-6-4-3-5-7-13)12-22-17(24)14-8-10-15(11-9-14)25-18(19,20)21/h3-11,16H,12H2,1-2H3,(H,22,24)
InChIKeyVXGJCHUENUBBGB-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.62
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide

N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 43001663) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
PubChem CID43001663
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-23(2)16(13-6-4-3-5-7-13)12-22-17(24)14-8-10-15(11-9-14)25-18(19,20)21/h3-11,16H,12H2,1-2H3,(H,22,24)
InChIKeyVXGJCHUENUBBGB-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-phenylethynyl)benzamide
CID 43044722
N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
CID 46578547
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide
CID 51153670
4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78786572
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide (CID 43001663) is N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide is CN(C)C(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is VXGJCHUENUBBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-23(2)16(13-6-4-3-5-7-13)12-22-17(24)14-8-10-15(11-9-14)25-18(19,20)21/h3-11,16H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide?
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 352.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 43001663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).