2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide

C19H20F3NO3 — CID 87132536

IUPAC2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide
SMILESCOC(Cc1ccccc1)c1cccc(OCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO3/c1-25-17(12-14-6-3-2-4-7-14)15-8-5-9-16(13-15)26-11-10-23-18(24)19(20,21)22/h2-9,13,17H,10-12H2,1H3,(H,23,24)
InChIKeyNFIMPFFOIRDGST-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.67
Rot. Bonds8

About 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide

2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide (PubChem CID 87132536) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide
PubChem CID87132536
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide
SMILESCOC(Cc1ccccc1)c1cccc(OCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO3/c1-25-17(12-14-6-3-2-4-7-14)15-8-5-9-16(13-15)26-11-10-23-18(24)19(20,21)22/h2-9,13,17H,10-12H2,1H3,(H,23,24)
InChIKeyNFIMPFFOIRDGST-UHFFFAOYSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine
CID 66742845
2-[3-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]pent-4-ynamide
CID 141438615
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 120589463
3-amino-2-methyl-3-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119736709
2-oxo-2-[2-(3-propan-2-ylphenoxy)ethylamino]acetic acid
CID 94690399
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
(2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide
CID 99646106

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide (CID 87132536) is 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide is COC(Cc1ccccc1)c1cccc(OCCNC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide?
The InChIKey is NFIMPFFOIRDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-25-17(12-14-6-3-2-4-7-14)15-8-5-9-16(13-15)26-11-10-23-18(24)19(20,21)22/h2-9,13,17H,10-12H2,1H3,(H,23,24).
What are the key properties of 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 87132536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).