3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid

C26H27F3N2O4 — CID 143629597

IUPAC3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCN(CCOc1ccc(-c2cccc(C(N)=O)c2)cc1)CCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26N2O2.C2HF3O2/c1-26(15-14-19-6-3-2-4-7-19)16-17-28-23-12-10-20(11-13-23)21-8-5-9-22(18-21)24(25)27;3-2(4,5)1(6)7/h2-13,18H,14-17H2,1H3,(H2,25,27);(H,6,7)
InChIKeyRAHVQPPQOGWKMK-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.64
Rot. Bonds9

About 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid

3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 143629597) has the molecular formula C26H27F3N2O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID143629597
Molecular FormulaC26H27F3N2O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC Name3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCN(CCOc1ccc(-c2cccc(C(N)=O)c2)cc1)CCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26N2O2.C2HF3O2/c1-26(15-14-19-6-3-2-4-7-19)16-17-28-23-12-10-20(11-13-23)21-8-5-9-22(18-21)24(25)27;3-2(4,5)1(6)7/h2-13,18H,14-17H2,1H3,(H2,25,27);(H,6,7)
InChIKeyRAHVQPPQOGWKMK-UHFFFAOYSA-N
XLogP4.64
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-phenylbutoxy)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123258613
3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide
CID 58276526
3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629604
3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3-[4-[2-[(3,5-difluorophenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629555
N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-N-methyl-2-phenylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 87735307
3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
CID 58276651
3-(2-phenylethoxy)benzamide
CID 17135006
ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide
CID 143210969
3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123297281
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid (CID 143629597) is 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid is CN(CCOc1ccc(-c2cccc(C(N)=O)c2)cc1)CCc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is RAHVQPPQOGWKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.C2HF3O2/c1-26(15-14-19-6-3-2-4-7-19)16-17-28-23-12-10-20(11-13-23)21-8-5-9-22(18-21)24(25)27;3-2(4,5)1(6)7/h2-13,18H,14-17H2,1H3,(H2,25,27);(H,6,7).
What are the key properties of 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid?
3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 488.51 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 143629597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).