2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C15H15F3N2O2 — CID 9333158

IUPAC2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccco1
InChIInChI=1S/C15H15F3N2O2/c1-20(9-13-6-3-7-22-13)10-14(21)19-12-5-2-4-11(8-12)15(16,17)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeySHNSMRFWWRQGDW-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.37
Rot. Bonds5

About 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 9333158) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID9333158
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccco1
InChIInChI=1S/C15H15F3N2O2/c1-20(9-13-6-3-7-22-13)10-14(21)19-12-5-2-4-11(8-12)15(16,17)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeySHNSMRFWWRQGDW-UHFFFAOYSA-N
XLogP3.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 31379581
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 8762528
2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18272443
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698870
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
(2S)-2-(furan-2-ylmethylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
CID 1297837

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 9333158) is 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccco1.
What is the InChIKey of 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SHNSMRFWWRQGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-20(9-13-6-3-7-22-13)10-14(21)19-12-5-2-4-11(8-12)15(16,17)18/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 312.29 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9333158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).