2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

C22H20F3NO3 — CID 60611370

IUPAC2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc(Cc2ccccc2)cc1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C22H20F3NO3/c23-22(24,25)16-26(14-20-7-4-12-28-20)21(27)15-29-19-10-8-18(9-11-19)13-17-5-2-1-3-6-17/h1-12H,13-16H2
InChIKeyUGZJOBOAYWCITH-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.84
Rot. Bonds8

About 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60611370) has the molecular formula C22H20F3NO3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60611370
Molecular FormulaC22H20F3NO3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc(Cc2ccccc2)cc1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C22H20F3NO3/c23-22(24,25)16-26(14-20-7-4-12-28-20)21(27)15-29-19-10-8-18(9-11-19)13-17-5-2-1-3-6-17/h1-12H,13-16H2
InChIKeyUGZJOBOAYWCITH-UHFFFAOYSA-N
XLogP4.84
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830857
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4161219
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide
CID 3906755
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
ethyl 4-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55868053
N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 134032635
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60611370) is 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1ccc(Cc2ccccc2)cc1)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UGZJOBOAYWCITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO3/c23-22(24,25)16-26(14-20-7-4-12-28-20)21(27)15-29-19-10-8-18(9-11-19)13-17-5-2-1-3-6-17/h1-12H,13-16H2.
What are the key properties of 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 403.40 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60611370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).