N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C20H18F3NO4 — CID 55588029

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1cccc2cc(C(C)NC(=O)COc3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C20H18F3NO4/c1-12(17-9-13-5-3-8-16(26-2)19(13)28-17)24-18(25)11-27-15-7-4-6-14(10-15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyYUWQPSYYIIOEHQ-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.72
Rot. Bonds6

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 55588029) has the molecular formula C20H18F3NO4 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID55588029
Molecular FormulaC20H18F3NO4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1cccc2cc(C(C)NC(=O)COc3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C20H18F3NO4/c1-12(17-9-13-5-3-8-16(26-2)19(13)28-17)24-18(25)11-27-15-7-4-6-14(10-15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyYUWQPSYYIIOEHQ-UHFFFAOYSA-N
XLogP4.72
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55588553
N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 112778632
N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758350
methyl 3-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoate
CID 112791627
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
CID 112672661
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119361630
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 42926696
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853969

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 55588029) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is COc1cccc2cc(C(C)NC(=O)COc3cccc(C(F)(F)F)c3)oc12.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is YUWQPSYYIIOEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO4/c1-12(17-9-13-5-3-8-16(26-2)19(13)28-17)24-18(25)11-27-15-7-4-6-14(10-15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 393.36 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 55588029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).