4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride

C19H24BrClN2O2 — CID 52985470

IUPAC4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride
SMILESCC1CCN(C(CNC(=O)c2ccc(Br)cc2)c2ccco2)CC1.Cl
InChIInChI=1S/C19H23BrN2O2.ClH/c1-14-8-10-22(11-9-14)17(18-3-2-12-24-18)13-21-19(23)15-4-6-16(20)7-5-15;/h2-7,12,14,17H,8-11,13H2,1H3,(H,21,23);1H
InChIKeyYYIFLJYGMLOHMA-UHFFFAOYSA-N
MW427.77 g/mol
LogP4.67
Rot. Bonds5

About 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride

4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride (PubChem CID 52985470) has the molecular formula C19H24BrClN2O2 and a molecular weight of 427.77 g/mol. Its IUPAC name is 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride
PubChem CID52985470
Molecular FormulaC19H24BrClN2O2
Molecular Weight427.77 g/mol
Exact Mass426.07
IUPAC Name4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride
SMILESCC1CCN(C(CNC(=O)c2ccc(Br)cc2)c2ccco2)CC1.Cl
InChIInChI=1S/C19H23BrN2O2.ClH/c1-14-8-10-22(11-9-14)17(18-3-2-12-24-18)13-21-19(23)15-4-6-16(20)7-5-15;/h2-7,12,14,17H,8-11,13H2,1H3,(H,21,23);1H
InChIKeyYYIFLJYGMLOHMA-UHFFFAOYSA-N
XLogP4.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.77
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide
CID 110302591
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
4-bromo-N-[3-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 26622015
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959829
methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
CID 124727899
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 26834379
3-chloro-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 26834359
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride (CID 52985470) is 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride is CC1CCN(C(CNC(=O)c2ccc(Br)cc2)c2ccco2)CC1.Cl.
What is the InChIKey of 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride?
The InChIKey is YYIFLJYGMLOHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2.ClH/c1-14-8-10-22(11-9-14)17(18-3-2-12-24-18)13-21-19(23)15-4-6-16(20)7-5-15;/h2-7,12,14,17H,8-11,13H2,1H3,(H,21,23);1H.
What are the key properties of 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride?
4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride has a molecular weight of 427.77 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 52985470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).