N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C18H18F3N3O4 — CID 9162495

IUPACN-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C18H18F3N3O4/c1-24(11-12-4-6-13(7-5-12)18(19,20)21)16(26)10-22-15(25)9-23-17(27)14-3-2-8-28-14/h2-8H,9-11H2,1H3,(H,22,25)(H,23,27)
InChIKeyXPUFAMGBNJKNTI-UHFFFAOYSA-N
MW397.35 g/mol
LogP1.80
Rot. Bonds7

About N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9162495) has the molecular formula C18H18F3N3O4 and a molecular weight of 397.35 g/mol. Its IUPAC name is N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9162495
Molecular FormulaC18H18F3N3O4
Molecular Weight397.35 g/mol
Exact Mass397.12
IUPAC NameN-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C18H18F3N3O4/c1-24(11-12-4-6-13(7-5-12)18(19,20)21)16(26)10-22-15(25)9-23-17(27)14-3-2-8-28-14/h2-8H,9-11H2,1H3,(H,22,25)(H,23,27)
InChIKeyXPUFAMGBNJKNTI-UHFFFAOYSA-N
XLogP1.80
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26619560
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9417538
N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 4878873
N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927547
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9417539
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43047921
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 2427987
N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 134006588
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
CID 9293667
N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 103711886
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 9162495) is N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XPUFAMGBNJKNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4/c1-24(11-12-4-6-13(7-5-12)18(19,20)21)16(26)10-22-15(25)9-23-17(27)14-3-2-8-28-14/h2-8H,9-11H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 397.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9162495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).