4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide

C19H23BrN2O2 — CID 26834539

IUPAC4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCCCC2)o1
InChIInChI=1S/C19H23BrN2O2/c1-14-5-10-18(24-14)17(22-11-3-2-4-12-22)13-21-19(23)15-6-8-16(20)9-7-15/h5-10,17H,2-4,11-13H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyGEOYMXYJANOIME-KRWDZBQOSA-N
MW391.31 g/mol
LogP4.31
Rot. Bonds5

About 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide

4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 26834539) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
PubChem CID26834539
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCCCC2)o1
InChIInChI=1S/C19H23BrN2O2/c1-14-5-10-18(24-14)17(22-11-3-2-4-12-22)13-21-19(23)15-6-8-16(20)9-7-15/h5-10,17H,2-4,11-13H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyGEOYMXYJANOIME-KRWDZBQOSA-N
XLogP4.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide (CID 26834539) is 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide is Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCCCC2)o1.
What is the InChIKey of 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is GEOYMXYJANOIME-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-14-5-10-18(24-14)17(22-11-3-2-4-12-22)13-21-19(23)15-6-8-16(20)9-7-15/h5-10,17H,2-4,11-13H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide?
4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 391.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 26834539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).