N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C18H16F3NO2 — CID 129487565

IUPACN-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC[C@H]1COc2ccccc21
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-5-3-4-12(8-14)9-17(23)22-10-13-11-24-16-7-2-1-6-15(13)16/h1-8,13H,9-11H2,(H,22,23)/t13-/m0/s1
InChIKeyZGKJZHBITXYIOP-ZDUSSCGKSA-N
MW335.33 g/mol
LogP3.54
Rot. Bonds4

About N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 129487565) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID129487565
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC[C@H]1COc2ccccc21
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-5-3-4-12(8-14)9-17(23)22-10-13-11-24-16-7-2-1-6-15(13)16/h1-8,13H,9-11H2,(H,22,23)/t13-/m0/s1
InChIKeyZGKJZHBITXYIOP-ZDUSSCGKSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide
CID 126853964
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
CID 129487413
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide
CID 110751057
(3S,4S)-1-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122014593
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea
CID 129350678
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
2-(2,3-dihydro-1H-inden-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 86955297

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 129487565) is N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H]1COc2ccccc21.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZGKJZHBITXYIOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)14-5-3-4-12(8-14)9-17(23)22-10-13-11-24-16-7-2-1-6-15(13)16/h1-8,13H,9-11H2,(H,22,23)/t13-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 335.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 129487565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).