N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide

C28H19F3N2O2 — CID 59193890

IUPACN-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
SMILESO=C(Nc1cccnc1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C28H19F3N2O2/c29-28(30,31)21-8-1-5-18(13-21)14-23-16-25-24(10-3-11-26(25)35-23)19-6-2-7-20(15-19)27(34)33-22-9-4-12-32-17-22/h1-13,15-17H,14H2,(H,33,34)
InChIKeyCWFPCJMNNMPCSR-UHFFFAOYSA-N
MW472.47 g/mol
LogP7.36
Rot. Bonds5

About N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide

N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide (PubChem CID 59193890) has the molecular formula C28H19F3N2O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
PubChem CID59193890
Molecular FormulaC28H19F3N2O2
Molecular Weight472.47 g/mol
Exact Mass472.14
IUPAC NameN-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
SMILESO=C(Nc1cccnc1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C28H19F3N2O2/c29-28(30,31)21-8-1-5-18(13-21)14-23-16-25-24(10-3-11-26(25)35-23)19-6-2-7-20(15-19)27(34)33-22-9-4-12-32-17-22/h1-13,15-17H,14H2,(H,33,34)
InChIKeyCWFPCJMNNMPCSR-UHFFFAOYSA-N
XLogP7.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The IUPAC name of N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide (CID 59193890) is N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide.
What is the SMILES notation for N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The canonical SMILES for N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide is O=C(Nc1cccnc1)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1.
What is the InChIKey of N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The InChIKey is CWFPCJMNNMPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N2O2/c29-28(30,31)21-8-1-5-18(13-21)14-23-16-25-24(10-3-11-26(25)35-23)19-6-2-7-20(15-19)27(34)33-22-9-4-12-32-17-22/h1-13,15-17H,14H2,(H,33,34).
What are the key properties of N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide has a molecular weight of 472.47 g/mol, XLogP of 7.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide is sourced from PubChem (CID 59193890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).