N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide

C20H15F3N2O4 — CID 55776313

IUPACN-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H15F3N2O4/c21-20(22,23)13-3-9-16(10-4-13)29-12-18(26)24-14-5-7-15(8-6-14)25-19(27)17-2-1-11-28-17/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyJNBCGXCNFWWLRG-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.57
Rot. Bonds6

About N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide

N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 55776313) has the molecular formula C20H15F3N2O4 and a molecular weight of 404.34 g/mol. Its IUPAC name is N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID55776313
Molecular FormulaC20H15F3N2O4
Molecular Weight404.34 g/mol
Exact Mass404.10
IUPAC NameN-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H15F3N2O4/c21-20(22,23)13-3-9-16(10-4-13)29-12-18(26)24-14-5-7-15(8-6-14)25-19(27)17-2-1-11-28-17/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyJNBCGXCNFWWLRG-UHFFFAOYSA-N
XLogP4.57
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 2531024
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 2427987
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
N-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55307259
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]furan-2-carboxamide
CID 1491636

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide (CID 55776313) is N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide is O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is JNBCGXCNFWWLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4/c21-20(22,23)13-3-9-16(10-4-13)29-12-18(26)24-14-5-7-15(8-6-14)25-19(27)17-2-1-11-28-17/h1-11H,12H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 404.34 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55776313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).