2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

C16H17F3N2O2 — CID 9103147

IUPAC2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C16H17F3N2O2/c1-11-3-8-14(23-11)9-21(2)10-15(22)20-13-6-4-12(5-7-13)16(17,18)19/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyIVHVTHSURGSKAO-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.68
Rot. Bonds5

About 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 9103147) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID9103147
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C16H17F3N2O2/c1-11-3-8-14(23-11)9-21(2)10-15(22)20-13-6-4-12(5-7-13)16(17,18)19/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyIVHVTHSURGSKAO-UHFFFAOYSA-N
XLogP3.68
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102980
N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102591
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9101861
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 31379581
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113158240
N-(2,6-dimethylphenyl)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]amino]acetamide
CID 9102594
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 9103147) is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1ccc(CN(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IVHVTHSURGSKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-11-3-8-14(23-11)9-21(2)10-15(22)20-13-6-4-12(5-7-13)16(17,18)19/h3-8H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 326.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9103147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).