2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C13H17BrClFN2O — CID 119462396

IUPAC2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O.ClH/c14-12-6-10(15)3-4-11(12)13(18)17-8-9-2-1-5-16-7-9;/h3-4,6,9,16H,1-2,5,7-8H2,(H,17,18);1H
InChIKeyYFLMIWASACJQCX-UHFFFAOYSA-N
MW351.65 g/mol
LogP2.74
Rot. Bonds3

About 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119462396) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119462396
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O.ClH/c14-12-6-10(15)3-4-11(12)13(18)17-8-9-2-1-5-16-7-9;/h3-4,6,9,16H,1-2,5,7-8H2,(H,17,18);1H
InChIKeyYFLMIWASACJQCX-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106131826
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599
4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462137
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
CID 103806776
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119462853
2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462907
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461346
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119462396) is 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is YFLMIWASACJQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O.ClH/c14-12-6-10(15)3-4-11(12)13(18)17-8-9-2-1-5-16-7-9;/h3-4,6,9,16H,1-2,5,7-8H2,(H,17,18);1H.
What are the key properties of 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 351.65 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119462396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).