2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

C20H24BrN3O3 — CID 25163702

IUPAC2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H24BrN3O3/c21-16-8-3-2-7-15(16)20(26)23-14-19(25)22-13-17(18-9-6-12-27-18)24-10-4-1-5-11-24/h2-3,6-9,12,17H,1,4-5,10-11,13-14H2,(H,22,25)(H,23,26)
InChIKeySBVILCQZYMZHML-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.12
Rot. Bonds7

About 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 25163702) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID25163702
Molecular FormulaC20H24BrN3O3
Molecular Weight434.33 g/mol
Exact Mass433.10
IUPAC Name2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C20H24BrN3O3/c21-16-8-3-2-7-15(16)20(26)23-14-19(25)22-13-17(18-9-6-12-27-18)24-10-4-1-5-11-24/h2-3,6-9,12,17H,1,4-5,10-11,13-14H2,(H,22,25)(H,23,26)
InChIKeySBVILCQZYMZHML-UHFFFAOYSA-N
XLogP3.12
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 25163702) is 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Br)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is SBVILCQZYMZHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c21-16-8-3-2-7-15(16)20(26)23-14-19(25)22-13-17(18-9-6-12-27-18)24-10-4-1-5-11-24/h2-3,6-9,12,17H,1,4-5,10-11,13-14H2,(H,22,25)(H,23,26).
What are the key properties of 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 434.33 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 25163702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).