3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid

C20H23F3N2O5 — CID 143629604

IUPAC3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCOCCNCCOc1ccc(-c2cccc(C(N)=O)c2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N2O3.C2HF3O2/c1-22-11-9-20-10-12-23-17-7-5-14(6-8-17)15-3-2-4-16(13-15)18(19)21;3-2(4,5)1(6)7/h2-8,13,20H,9-12H2,1H3,(H2,19,21);(H,6,7)
InChIKeyPOZGIWKDMSSJQB-UHFFFAOYSA-N
MW428.41 g/mol
LogP2.70
Rot. Bonds9

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

3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 143629604) has the molecular formula C20H23F3N2O5 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID143629604
Molecular FormulaC20H23F3N2O5
Molecular Weight428.41 g/mol
Exact Mass428.16
IUPAC Name3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCOCCNCCOc1ccc(-c2cccc(C(N)=O)c2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N2O3.C2HF3O2/c1-22-11-9-20-10-12-23-17-7-5-14(6-8-17)15-3-2-4-16(13-15)18(19)21;3-2(4,5)1(6)7/h2-8,13,20H,9-12H2,1H3,(H2,19,21);(H,6,7)
InChIKeyPOZGIWKDMSSJQB-UHFFFAOYSA-N
XLogP2.70
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107
3-[4-[2-[(3,5-difluorophenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629555
3-[4-(4-phenylbutoxy)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123258613
3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
CID 58276651
3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629597
3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
CID 59316398
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide
CID 59316491
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
3-[4-[2-[[(1S,2S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]ethoxy]phenyl]benzamide
CID 71125468
3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide
CID 58276526
5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide
CID 58276289

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid (CID 143629604) is 3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid is COCCNCCOc1ccc(-c2cccc(C(N)=O)c2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is POZGIWKDMSSJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.C2HF3O2/c1-22-11-9-20-10-12-23-17-7-5-14(6-8-17)15-3-2-4-16(13-15)18(19)21;3-2(4,5)1(6)7/h2-8,13,20H,9-12H2,1H3,(H2,19,21);(H,6,7).
What are the key properties of 3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid?
3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 428.41 g/mol, XLogP of 2.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 143629604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).