N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide

C20H20F3NO3 — CID 90635847

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO3/c1-24(11-18-9-14-5-2-3-6-15(14)12-26-18)19(25)13-27-17-8-4-7-16(10-17)20(21,22)23/h2-8,10,18H,9,11-13H2,1H3
InChIKeyHLKGAELXOPFAJV-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.68
Rot. Bonds5

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 90635847) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID90635847
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO3/c1-24(11-18-9-14-5-2-3-6-15(14)12-26-18)19(25)13-27-17-8-4-7-16(10-17)20(21,22)23/h2-8,10,18H,9,11-13H2,1H3
InChIKeyHLKGAELXOPFAJV-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 90635847) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide is CN(CC1Cc2ccccc2CO1)C(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is HLKGAELXOPFAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-24(11-18-9-14-5-2-3-6-15(14)12-26-18)19(25)13-27-17-8-4-7-16(10-17)20(21,22)23/h2-8,10,18H,9,11-13H2,1H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 379.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 90635847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).