4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide

C28H35ClN2O2 — CID 57384396

IUPAC4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C28H35ClN2O2/c29-23-8-6-22(7-9-23)28(32)30-24-10-4-20(5-11-24)12-16-31-17-13-21(14-18-31)25-2-1-3-27-26(25)15-19-33-27/h1-3,6-9,20-21,24H,4-5,10-19H2,(H,30,32)
InChIKeyHZIPKQNESFBOQW-UHFFFAOYSA-N
MW467.05 g/mol
LogP5.83
Rot. Bonds6

About 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide

4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide (PubChem CID 57384396) has the molecular formula C28H35ClN2O2 and a molecular weight of 467.05 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide
PubChem CID57384396
Molecular FormulaC28H35ClN2O2
Molecular Weight467.05 g/mol
Exact Mass466.24
IUPAC Name4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C28H35ClN2O2/c29-23-8-6-22(7-9-23)28(32)30-24-10-4-20(5-11-24)12-16-31-17-13-21(14-18-31)25-2-1-3-27-26(25)15-19-33-27/h1-3,6-9,20-21,24H,4-5,10-19H2,(H,30,32)
InChIKeyHZIPKQNESFBOQW-UHFFFAOYSA-N
XLogP5.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.05
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide (CID 57384396) is 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide is O=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The InChIKey is HZIPKQNESFBOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O2/c29-23-8-6-22(7-9-23)28(32)30-24-10-4-20(5-11-24)12-16-31-17-13-21(14-18-31)25-2-1-3-27-26(25)15-19-33-27/h1-3,6-9,20-21,24H,4-5,10-19H2,(H,30,32).
What are the key properties of 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide has a molecular weight of 467.05 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide is sourced from PubChem (CID 57384396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).