N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

C28H27FN2O2 — CID 46270057

IUPACN-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCC1CCN(C(c2cccc(F)c2)c2oc3ccccc3c2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C28H27FN2O2/c1-19-14-16-31(17-15-19)26(21-10-7-11-22(29)18-21)27-25(23-12-5-6-13-24(23)33-27)30-28(32)20-8-3-2-4-9-20/h2-13,18-19,26H,14-17H2,1H3,(H,30,32)
InChIKeyFUJHBMODLPMDIT-UHFFFAOYSA-N
MW442.53 g/mol
LogP6.65
Rot. Bonds5

About N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (PubChem CID 46270057) has the molecular formula C28H27FN2O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
PubChem CID46270057
Molecular FormulaC28H27FN2O2
Molecular Weight442.53 g/mol
Exact Mass442.21
IUPAC NameN-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCC1CCN(C(c2cccc(F)c2)c2oc3ccccc3c2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C28H27FN2O2/c1-19-14-16-31(17-15-19)26(21-10-7-11-22(29)18-21)27-25(23-12-5-6-13-24(23)33-27)30-28(32)20-8-3-2-4-9-20/h2-13,18-19,26H,14-17H2,1H3,(H,30,32)
InChIKeyFUJHBMODLPMDIT-UHFFFAOYSA-N
XLogP6.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (CID 46270057) is N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is CC1CCN(C(c2cccc(F)c2)c2oc3ccccc3c2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is FUJHBMODLPMDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O2/c1-19-14-16-31(17-15-19)26(21-10-7-11-22(29)18-21)27-25(23-12-5-6-13-24(23)33-27)30-28(32)20-8-3-2-4-9-20/h2-13,18-19,26H,14-17H2,1H3,(H,30,32).
What are the key properties of N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 442.53 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 46270057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).