N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide

C19H11F3N2O2 — CID 1102939

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
SMILESN#Cc1c(NC(=O)C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H11F3N2O2/c20-19(21,22)18(25)24-17-14(11-23)15(12-7-3-1-4-8-12)16(26-17)13-9-5-2-6-10-13/h1-10H,(H,24,25)
InChIKeyXRTJLYPXUOTKBJ-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.99
Rot. Bonds3

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 1102939) has the molecular formula C19H11F3N2O2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
PubChem CID1102939
Molecular FormulaC19H11F3N2O2
Molecular Weight356.30 g/mol
Exact Mass356.08
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
SMILESN#Cc1c(NC(=O)C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H11F3N2O2/c20-19(21,22)18(25)24-17-14(11-23)15(12-7-3-1-4-8-12)16(26-17)13-9-5-2-6-10-13/h1-10H,(H,24,25)
InChIKeyXRTJLYPXUOTKBJ-UHFFFAOYSA-N
XLogP4.99
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 108757680
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752
N-(3-cyano-4,5-diphenylfuran-2-yl)methanesulfonamide
CID 108781743
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
CID 108757692
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide
CID 23875644
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide (CID 1102939) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide is N#Cc1c(NC(=O)C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is XRTJLYPXUOTKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O2/c20-19(21,22)18(25)24-17-14(11-23)15(12-7-3-1-4-8-12)16(26-17)13-9-5-2-6-10-13/h1-10H,(H,24,25).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 356.30 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1102939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).