3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride

C19H22BrClN2O2 — CID 119385922

IUPAC3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C19H21BrN2O2.ClH/c20-18-7-2-1-4-15(18)13-24-17-6-3-5-14(12-17)19(23)22-16-8-10-21-11-9-16;/h1-7,12,16,21H,8-11,13H2,(H,22,23);1H
InChIKeyMMCFPMPSQYVHPL-UHFFFAOYSA-N
MW425.75 g/mol
LogP3.93
Rot. Bonds5

About 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride

3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119385922) has the molecular formula C19H22BrClN2O2 and a molecular weight of 425.75 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119385922
Molecular FormulaC19H22BrClN2O2
Molecular Weight425.75 g/mol
Exact Mass424.06
IUPAC Name3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C19H21BrN2O2.ClH/c20-18-7-2-1-4-15(18)13-24-17-6-3-5-14(12-17)19(23)22-16-8-10-21-11-9-16;/h1-7,12,16,21H,8-11,13H2,(H,22,23);1H
InChIKeyMMCFPMPSQYVHPL-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.75
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449633
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
3-[(2-bromophenyl)methoxy]-N-propylbenzamide
CID 13176426
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-ylbenzamide
CID 119388257
3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide
CID 119429629
3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide
CID 55864621
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119386172
N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069
3-[(4-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427852
2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451945

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride (CID 119385922) is 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1cccc(OCc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is MMCFPMPSQYVHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2.ClH/c20-18-7-2-1-4-15(18)13-24-17-6-3-5-14(12-17)19(23)22-16-8-10-21-11-9-16;/h1-7,12,16,21H,8-11,13H2,(H,22,23);1H.
What are the key properties of 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride?
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 425.75 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119385922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).