N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide

C21H15F4N3O2 — CID 118466776

IUPACN-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccc(C(F)(F)F)cc12)c1ccoc1
InChIInChI=1S/C21H15F4N3O2/c22-10-13-1-3-14(4-2-13)11-28-18-6-5-16(21(23,24)25)9-17(18)19(27-28)26-20(29)15-7-8-30-12-15/h1-9,12H,10-11H2,(H,26,27,29)
InChIKeyYWQMBRAIEMMZNK-UHFFFAOYSA-N
MW417.36 g/mol
LogP5.42
Rot. Bonds5

About N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide

N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide (PubChem CID 118466776) has the molecular formula C21H15F4N3O2 and a molecular weight of 417.36 g/mol. Its IUPAC name is N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide
PubChem CID118466776
Molecular FormulaC21H15F4N3O2
Molecular Weight417.36 g/mol
Exact Mass417.11
IUPAC NameN-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccc(C(F)(F)F)cc12)c1ccoc1
InChIInChI=1S/C21H15F4N3O2/c22-10-13-1-3-14(4-2-13)11-28-18-6-5-16(21(23,24)25)9-17(18)19(27-28)26-20(29)15-7-8-30-12-15/h1-9,12H,10-11H2,(H,26,27,29)
InChIKeyYWQMBRAIEMMZNK-UHFFFAOYSA-N
XLogP5.42
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.36
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide (CID 118466776) is N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide is O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccc(C(F)(F)F)cc12)c1ccoc1.
What is the InChIKey of N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide?
The InChIKey is YWQMBRAIEMMZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O2/c22-10-13-1-3-14(4-2-13)11-28-18-6-5-16(21(23,24)25)9-17(18)19(27-28)26-20(29)15-7-8-30-12-15/h1-9,12H,10-11H2,(H,26,27,29).
What are the key properties of N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide?
N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide has a molecular weight of 417.36 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(fluoromethyl)phenyl]methyl]-5-(trifluoromethyl)indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118466776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).