N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide

C16H17F3N2O2 — CID 4803620

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C16H17F3N2O2/c1-21(2)13(14-7-4-8-23-14)10-20-15(22)11-5-3-6-12(9-11)16(17,18)19/h3-9,13H,10H2,1-2H3,(H,20,22)
InChIKeyHQGXNVWYVJRNIR-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 4803620) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID4803620
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C16H17F3N2O2/c1-21(2)13(14-7-4-8-23-14)10-20-15(22)11-5-3-6-12(9-11)16(17,18)19/h3-9,13H,10H2,1-2H3,(H,20,22)
InChIKeyHQGXNVWYVJRNIR-UHFFFAOYSA-N
XLogP3.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24542683
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111267799
3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25496186
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25374826

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 4803620) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide is CN(C)C(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HQGXNVWYVJRNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-21(2)13(14-7-4-8-23-14)10-20-15(22)11-5-3-6-12(9-11)16(17,18)19/h3-9,13H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 326.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4803620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).