2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

C22H20F4N2O2 — CID 60501421

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C22H20F4N2O2/c23-18-9-8-17(20(11-18)22(24,25)26)12-27-21(29)15-28(14-19-7-4-10-30-19)13-16-5-2-1-3-6-16/h1-11H,12-15H2,(H,27,29)
InChIKeyJDNSKEXKLUEVLI-UHFFFAOYSA-N
MW420.41 g/mol
LogP4.76
Rot. Bonds8

About 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 60501421) has the molecular formula C22H20F4N2O2 and a molecular weight of 420.41 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID60501421
Molecular FormulaC22H20F4N2O2
Molecular Weight420.41 g/mol
Exact Mass420.15
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C22H20F4N2O2/c23-18-9-8-17(20(11-18)22(24,25)26)12-27-21(29)15-28(14-19-7-4-10-30-19)13-16-5-2-1-3-6-16/h1-11H,12-15H2,(H,27,29)
InChIKeyJDNSKEXKLUEVLI-UHFFFAOYSA-N
XLogP4.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 46474679
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 24574981
2-[bis(furan-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8842242
N-[3-[[[N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111889513
2-[benzyl(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 18269944
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 60509025
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18271937
2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 55354166

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (CID 60501421) is 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CN(Cc1ccccc1)Cc1ccco1)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is JDNSKEXKLUEVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N2O2/c23-18-9-8-17(20(11-18)22(24,25)26)12-27-21(29)15-28(14-19-7-4-10-30-19)13-16-5-2-1-3-6-16/h1-11H,12-15H2,(H,27,29).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 420.41 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 60501421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).