N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C25H18F3NO3 — CID 132814466

IUPACN-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1)c1ccco1
InChIInChI=1S/C25H18F3NO3/c26-25(27,28)19-12-13-22(20(16-19)29-24(30)23-11-6-14-31-23)32-21-10-5-4-9-18(21)15-17-7-2-1-3-8-17/h1-14,16H,15H2,(H,29,30)
InChIKeySPCRTCRENDJLGA-UHFFFAOYSA-N
MW437.42 g/mol
LogP6.93
Rot. Bonds6

About N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 132814466) has the molecular formula C25H18F3NO3 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID132814466
Molecular FormulaC25H18F3NO3
Molecular Weight437.42 g/mol
Exact Mass437.12
IUPAC NameN-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1)c1ccco1
InChIInChI=1S/C25H18F3NO3/c26-25(27,28)19-12-13-22(20(16-19)29-24(30)23-11-6-14-31-23)32-21-10-5-4-9-18(21)15-17-7-2-1-3-8-17/h1-14,16H,15H2,(H,29,30)
InChIKeySPCRTCRENDJLGA-UHFFFAOYSA-N
XLogP6.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 16761301
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
CID 79530106
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 115911287
N-[2-(2-chlorophenoxy)phenyl]furan-2-carboxamide
CID 17468939
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea
CID 71718130
N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032652
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032656
N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide
CID 10267859

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 132814466) is N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1)c1ccco1.
What is the InChIKey of N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is SPCRTCRENDJLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3NO3/c26-25(27,28)19-12-13-22(20(16-19)29-24(30)23-11-6-14-31-23)32-21-10-5-4-9-18(21)15-17-7-2-1-3-8-17/h1-14,16H,15H2,(H,29,30).
What are the key properties of N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 132814466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).